Category: 2253-73-8

Identification of aroma compounds in raw and cooked broccoli was written by Wieczorek, Martyna N.;Majcher, Malgorzata A.;Jelen, Henryk H.. And the article was included in Flavour and Fragrance Journal in 2021.Related Products of 2253-73-8 The following contents are mentioned in the article:

Broccoli is characterized by its specific flavor, which is the reason it is not tolerated by some consumers. The role of aroma in flavor is crucial; however, the characteristics of aroma-active components in broccoli are still unclear. Solvent-assisted flavor evaporation (SAFE) with the aid of solid-phase microextraction (SPME) and fractionation using solid phase extraction (SPE), followed by different chromatog.-mass spectrometry approaches (GC-MS, GC-MS/MS, GCxGC-ToFMS) were used to identify the compounds of interest. A total of 33 aroma-active compounds were detected with the use of gas chromatog.-olfactometry (GC-O) in raw, and 9 in cooked broccoli florets; in majority sulfur compounds-thiols, sulfides, and isothiocyanates prevailed. Methanethiol and 1-pentanethiol were the key odorants characterized by the highest FD (1024) in raw broccoli, followed by di-Me sulfide, 2,3-butanedione, di-Me trisulfide, di-Me tetrasulfide, 2-Me methanethiosulfonate, 4-methylpentyl isothiocyanate, hexyl isothiocyanate (all with an FD of 256). In cooked broccoli, the number and especially the intensity of detected compounds were much lower. The highest FD values (FD=4) were noted for di-Me trisulfide and 1,4-octadien-3-one. To our knowledge, this is the first detailed identification of odorants in raw and cooked broccoli. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Related Products of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Related Products of 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Identification of aroma compounds in raw and cooked broccoli was written by Wieczorek, Martyna N.;Majcher, Malgorzata A.;Jelen, Henryk H.. And the article was included in Flavour and Fragrance Journal in 2021.Electric Literature of C4H7NS The following contents are mentioned in the article:

Broccoli is characterized by its specific flavor, which is the reason it is not tolerated by some consumers. The role of aroma in flavor is crucial; however, the characteristics of aroma-active components in broccoli are still unclear. Solvent-assisted flavor evaporation (SAFE) with the aid of solid-phase microextraction (SPME) and fractionation using solid phase extraction (SPE), followed by different chromatog.-mass spectrometry approaches (GC-MS, GC-MS/MS, GCxGC-ToFMS) were used to identify the compounds of interest. A total of 33 aroma-active compounds were detected with the use of gas chromatog.-olfactometry (GC-O) in raw, and 9 in cooked broccoli florets; in majority sulfur compounds-thiols, sulfides, and isothiocyanates prevailed. Methanethiol and 1-pentanethiol were the key odorants characterized by the highest FD (1024) in raw broccoli, followed by di-Me sulfide, 2,3-butanedione, di-Me trisulfide, di-Me tetrasulfide, 2-Me methanethiosulfonate, 4-methylpentyl isothiocyanate, hexyl isothiocyanate (all with an FD of 256). In cooked broccoli, the number and especially the intensity of detected compounds were much lower. The highest FD values (FD=4) were noted for di-Me trisulfide and 1,4-octadien-3-one. To our knowledge, this is the first detailed identification of odorants in raw and cooked broccoli. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Electric Literature of C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Electric Literature of C4H7NS

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Selective Synthesis of Non-Aromatic Five-Membered Sulfur Heterocycles from Alkynes by using a Proton Acid/N-Chlorophthalimide System was written by Yu, Wentao;Zhu, Baiyao;Shi, Fuxing;Zhou, Peiqi;Wu, Wanqing;Jiang, Huanfeng. And the article was included in Angewandte Chemie, International Edition in 2021.Application In Synthesis of Isopropylisothiocyanate The following contents are mentioned in the article:

A multicomponent strategy to achieve two different regioselectivities from alkynes, isothiocyanates and H₂O with a proton acid/N-chlorophthalimide (NCPI) system is described to selectively obtain non-aromatic five-membered sulfur heterocycles (1,3-oxathiol-2-imines/thiazol-2(3H)-one derivatives) through multiple bond formations. The process features readily available starting materials, mild reaction conditions, broad substrate scope, good functional-group tolerance, high regio- and chemoselectivities, gram-scale synthesis and late-stage modifications. Mechanistic studies support the proposal that the transformation process includes a combination of H₂O and isothiocyanate, free-radical formation, carbonation and intramol. cyclization to give the products. Furthermore, the 1,3-oxathiol-2-imine derivatives possess unique fluorescence characteristics and can be used as Pd²⁺ sensors with a “turn-off” response, demonstrating potential applications in environmental and biol. fields. Thus, e.g., PhCCPh + EtN:C:S + H₂O → I (84%, 82% isolated, Z/E = 8.5:1) in presence of Fe₂(SO₄)₃.xH₂O, NCPI and HOTf in PhF whereas treatment with NCPI and HCOOH in MeNO₂/HFIP afforded II (61%, 58% isolated). This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Application In Synthesis of Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Application In Synthesis of Isopropylisothiocyanate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Selective Synthesis of Non-Aromatic Five-Membered Sulfur Heterocycles from Alkynes by using a Proton Acid/N-Chlorophthalimide System was written by Yu, Wentao;Zhu, Baiyao;Shi, Fuxing;Zhou, Peiqi;Wu, Wanqing;Jiang, Huanfeng. And the article was included in Angewandte Chemie, International Edition in 2021.Reference of 2253-73-8 The following contents are mentioned in the article:

A multicomponent strategy to achieve two different regioselectivities from alkynes, isothiocyanates and H₂O with a proton acid/N-chlorophthalimide (NCPI) system is described to selectively obtain non-aromatic five-membered sulfur heterocycles (1,3-oxathiol-2-imines/thiazol-2(3H)-one derivatives) through multiple bond formations. The process features readily available starting materials, mild reaction conditions, broad substrate scope, good functional-group tolerance, high regio- and chemoselectivities, gram-scale synthesis and late-stage modifications. Mechanistic studies support the proposal that the transformation process includes a combination of H₂O and isothiocyanate, free-radical formation, carbonation and intramol. cyclization to give the products. Furthermore, the 1,3-oxathiol-2-imine derivatives possess unique fluorescence characteristics and can be used as Pd²⁺ sensors with a “turn-off” response, demonstrating potential applications in environmental and biol. fields. Thus, e.g., PhCCPh + EtN:C:S + H₂O → I (84%, 82% isolated, Z/E = 8.5:1) in presence of Fe₂(SO₄)₃.xH₂O, NCPI and HOTf in PhF whereas treatment with NCPI and HCOOH in MeNO₂/HFIP afforded II (61%, 58% isolated). This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Reference of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Reference of 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mass Spectra of New Heterocycles: XXII. Electron Impact and Chemical Ionization of 1-Alkyl(cycloalkyl, alkoxyalkyl)-5-[(alkyl, allyl, benzyl)sulfanyl]-1H-pyrrol-2-amines was written by Klyba, L. V.;Nedolya, N. A.;Sanzheeva, E. R.;Tarasova, O. A.. And the article was included in Russian Journal of Organic Chemistry in 2021.Safety of Isopropylisothiocyanate The following contents are mentioned in the article:

Fragmentation of 1-alkyl(cycloalkyl, alkoxyalkyl)-5-[(alkyl, allyl, benzyl)sulfanyl]-1H-pyrrol-2-amines I [R¹ = Me, i-Pr, CH₂CH₂OMe, etc.; R² = R³ = Me, (CH₂)₄, (CH₂)₂O(CH₂)₂, etc.; R⁴ = Me, Et, allyl, Bn] under electron impact (70 eV) and chem. ionization (with methane as reactant gas) had been studied for first time. All examined compounds under electron impact generated mol. ion [M]^+· (I_rel 5-90%) whose primary fragmentation involved mainly cleavage of C-S bond in SR⁴ substituent with elimination of R⁴ radical (except for 1-isopropyl- and 1-cycloalkyl-1H-pyrrol-2-amines). The main pathway of decomposition of 1-isopropyl(cycloalkyl)-N,N-dimethyl-5-[(Me, allyl)sulfanyl]-1H-pyrrol-2-amines was cleavage of C-N bond with both elimination of R¹ radical from pyrrole nitrogen atom and fragmentation of pyrrole ring through elimination of imine (or aziridine) mol. and formation of odd-electron [M – NR¹]^+· radical cation. Chem. ionization of title compounds involved protonation, charge exchange, and electrophilic addition processes and elimination of Me (Et) and SMe (SEt) radicals from [M + H]⁺ ions. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Safety of Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Safety of Isopropylisothiocyanate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mass Spectra of New Heterocycles: XXII. Electron Impact and Chemical Ionization of 1-Alkyl(cycloalkyl, alkoxyalkyl)-5-[(alkyl, allyl, benzyl)sulfanyl]-1H-pyrrol-2-amines was written by Klyba, L. V.;Nedolya, N. A.;Sanzheeva, E. R.;Tarasova, O. A.. And the article was included in Russian Journal of Organic Chemistry in 2021.COA of Formula: C4H7NS The following contents are mentioned in the article:

Fragmentation of 1-alkyl(cycloalkyl, alkoxyalkyl)-5-[(alkyl, allyl, benzyl)sulfanyl]-1H-pyrrol-2-amines I [R¹ = Me, i-Pr, CH₂CH₂OMe, etc.; R² = R³ = Me, (CH₂)₄, (CH₂)₂O(CH₂)₂, etc.; R⁴ = Me, Et, allyl, Bn] under electron impact (70 eV) and chem. ionization (with methane as reactant gas) had been studied for first time. All examined compounds under electron impact generated mol. ion [M]^+· (I_rel 5-90%) whose primary fragmentation involved mainly cleavage of C-S bond in SR⁴ substituent with elimination of R⁴ radical (except for 1-isopropyl- and 1-cycloalkyl-1H-pyrrol-2-amines). The main pathway of decomposition of 1-isopropyl(cycloalkyl)-N,N-dimethyl-5-[(Me, allyl)sulfanyl]-1H-pyrrol-2-amines was cleavage of C-N bond with both elimination of R¹ radical from pyrrole nitrogen atom and fragmentation of pyrrole ring through elimination of imine (or aziridine) mol. and formation of odd-electron [M – NR¹]^+· radical cation. Chem. ionization of title compounds involved protonation, charge exchange, and electrophilic addition processes and elimination of Me (Et) and SMe (SEt) radicals from [M + H]⁺ ions. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8COA of Formula: C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.COA of Formula: C4H7NS

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Development of the 1,2,4-triazole-based anticonvulsant drug candidates acting on the voltage-gated sodium channels. Insights from in-vivo, in-vitro, and in-silico studies was written by Kapron, Barbara;Luszczki, Jarogniew J.;Plazinska, Anita;Siwek, Agata;Karcz, Tadeusz;Grybos, Anna;Nowak, Gabriel;Makuch-Kocka, Anna;Walczak, Katarzyna;Langner, Ewa;Szalast, Karolina;Marciniak, Sebastian;Paczkowska, Magdalena;Cielecka-Piontek, Judyta;Ciesla, Lukasz M.;Plech, Tomasz. And the article was included in European Journal of Pharmaceutical Sciences in 2019.Synthetic Route of C4H7NS The following contents are mentioned in the article:

The treatment of epilepsy remains difficult mostly since almost 30% of patients suffer from pharmacoresistant forms of the disease. Therefore, there is an urgent need to search for new antiepileptic drug candidates. Previously, it has been shown that 4-alkyl-5-substituted-1,2,4-triazole-3-thione derivativatives possessed strong anticonvulsant activity in a maximal electroshock-induced seizure model of epilepsy. In this work, we examined the effect of the chem. structure of the 1,2,4-triazole-3-thione-based mols. on the anticonvulsant activity and the binding to voltage-gated sodium channels (VGSCs) and GABA_A receptors. Docking simulations allowed us to determine the mode of interactions between the investigated compounds and binding cavity of the human VGSC. Selected compounds were also investigated in a panel of ADME-Tox assays, including parallel artificial membrane permeability assay (PAMPA), single cell gel electrophoresis (SCGE) and cytotoxicity evaluation in HepG2 cells. The obtained results indicated that unbranched alkyl chains, from Bu to hexyl, attached to 1,2,4-triazole core are essential both for good anticonvulsant activity and strong interactions with VGSCs. The combined in-vivo, in-vitro and in-silico studies emphasize 4-alkyl-5-substituted-1,2,4-triazole-3-thiones as promising agents in the development of new anticonvulsants. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Synthetic Route of C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Synthetic Route of C4H7NS

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Effectiveness of defatted seed meals from Brassicaceae with or without crude glycerin against black grass (Alopecurus myosuroides Huds.) was written by Matteo, R.;Back, M. A.;Reade, J. P. H.;Ugolini, L.;Pagnotta, E.;Lazzeri, L.. And the article was included in Industrial Crops and Products in 2018.Application of 2253-73-8 The following contents are mentioned in the article:

Herbicide resistance has become an increasing problem, and at the same time pesticide usage is declining due to stringent EU pesticide legislation which aims to reduce the impact on environment and human health. For these reasons, new alternative integrated weed management approaches are becoming increasingly relevant. Formulations based on Brassica defatted seed meals (DSMs) and glycerin, have previously been shown to be effective in reducing the germination of lettuce seed. In this work five DSMs, formulated with and without crude glycerin, were chosen for in vitro and glasshouse experiments: (i) Brassica nigra, (ii) Brassica tournefortii, (iii) Eruca sativa, (iv) Rapistrum rugosum and (v) Sinapis alba. Black-grass (Alopecurus myosuroides), a weed demonstrating extensive herbicide resistance, was used as a target, and the germination inhibition caused on this weed by Brassica defatted seed meals was assessed. In both in vitro and in vivo experiments, the most effective DSM for inhibiting germination of both lettuce and black-grass seeds was the sinigrin containing DSM, Brassica nigra. The aim of the manuscript was to suggest a new high value application for Brassicas derived DSM as a co-products from the vegetable oil production chain. The proposed treatments could represent an interesting and 100% novel natural alternative to the conventional herbicides. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Application of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Application of 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Development of the 1,2,4-triazole-based anticonvulsant drug candidates acting on the voltage-gated sodium channels. Insights from in-vivo, in-vitro, and in-silico studies was written by Kapron, Barbara;Luszczki, Jarogniew J.;Plazinska, Anita;Siwek, Agata;Karcz, Tadeusz;Grybos, Anna;Nowak, Gabriel;Makuch-Kocka, Anna;Walczak, Katarzyna;Langner, Ewa;Szalast, Karolina;Marciniak, Sebastian;Paczkowska, Magdalena;Cielecka-Piontek, Judyta;Ciesla, Lukasz M.;Plech, Tomasz. And the article was included in European Journal of Pharmaceutical Sciences in 2019.Product Details of 2253-73-8 The following contents are mentioned in the article:

The treatment of epilepsy remains difficult mostly since almost 30% of patients suffer from pharmacoresistant forms of the disease. Therefore, there is an urgent need to search for new antiepileptic drug candidates. Previously, it has been shown that 4-alkyl-5-substituted-1,2,4-triazole-3-thione derivativatives possessed strong anticonvulsant activity in a maximal electroshock-induced seizure model of epilepsy. In this work, we examined the effect of the chem. structure of the 1,2,4-triazole-3-thione-based mols. on the anticonvulsant activity and the binding to voltage-gated sodium channels (VGSCs) and GABA_A receptors. Docking simulations allowed us to determine the mode of interactions between the investigated compounds and binding cavity of the human VGSC. Selected compounds were also investigated in a panel of ADME-Tox assays, including parallel artificial membrane permeability assay (PAMPA), single cell gel electrophoresis (SCGE) and cytotoxicity evaluation in HepG2 cells. The obtained results indicated that unbranched alkyl chains, from Bu to hexyl, attached to 1,2,4-triazole core are essential both for good anticonvulsant activity and strong interactions with VGSCs. The combined in-vivo, in-vitro and in-silico studies emphasize 4-alkyl-5-substituted-1,2,4-triazole-3-thiones as promising agents in the development of new anticonvulsants. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Product Details of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Product Details of 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Dataset on analytical characterization of bioactive components from Azadirachta indica, Canna indica, Magnifera indica and Moringa oleifera leaf extracts and their applications in nanoparticles biosynthesis was written by Bolade, Oladotun P.;Williams, Akan B.;Benson, Nsikak U.. And the article was included in Data in Brief in 2021.Quality Control of Isopropylisothiocyanate The following contents are mentioned in the article:

This paper presents data on the bioactive phytoconstituents in Azadirachta indica, Canna indica, Magnifera indica, and Moringa oleifera analyzed using quant. and qual. phytochem. screening methods, Fourier Transform IR Spectroscopy and Gas Chromatog.-Mass Spectrometry (GC-MS). Extracts were prepared in water, ethanol (EtOH) and EtOH:water mix. Identification of bioactive components was based on their spectral data and retention times compared with National Institute of Standards and Technol. (NIST) mass spectral library. The most prominent absorption bands indicated are O-H stretching vibration, C-H stretch of polyols, aromatic C=C stretching vibration, O-H stretch of polyols, C-H stretching vibration and C-OH polyols. The GC-MS characterization for A. indica showed the presence of phenols, organic acids and carbohydrates with cannabidiol as the most abundant. Crude extracts of M. oleifera showed six phenolic compounds with 4-hydroxy-bezoic acid and cannabidiol present prominently. Six phenolic phytoconstituents were identified in M. indica extracts with 1,2,3-benzenetriol as the major polyphenolic compound Biogenic iron oxide nanoparticles were synthesized and the formation was confirmed using a UV spectrometer (UV-3000 ORI, Germany) between 200 and 800 nm spectral range. X-ray diffraction (XRD) characterization of the biosynthesized iron oxide nanoparticles was carried out using Empyrean, Malvern PanAnal. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Quality Control of Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Quality Control of Isopropylisothiocyanate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics