Category: esters-buliding-blocks

Rational Development of Remote C-H Functionalization of Biphenyl: Experimental and Computational Studies was written by Fan, Zhoulong;Bay, Katherine L.;Chen, Xiangyang;Zhuang, Zhe;Park, Han Seul;Yeung, Kap-Sun;Houk, K. N.;Yu, Jin-Quan. And the article was included in Angewandte Chemie, International Edition in 2020.Recommanded Product: 14667-47-1 This article mentions the following:

A simple and efficient nitrile-directed meta-C-H olefination, acetoxylation, and iodination of biaryl compounds was reported. Compared to the previous approach of installing a complex U-shaped template to achieve a mol. U-turn and assemble the large-sized cyclophane transition state for the remote C-H activation, a synthetically useful Ph nitrile functional group could also direct remote meta-C-H activation. This reaction provided a useful method for the modification of biaryl compounds because the nitrile group was readily converted to amines, acids, amides or other heterocycles. Notably, the remote meta-selectivity of biphenylnitriles could not be expected from previous results with a macrocyclophane nitrile template. DFT computational studies showed that a ligand-containing Pd-Ag heterodimeric transition state (TS) favors the desired remote meta-selectivity. Control experiments demonstrated the directing effect of the nitrile group and exclude the possibility of non-directed meta-C-H activation. Substituted 2-pyridone ligands were found to be key in assisting the cleavage of the meta-C-H bond in the concerted metalation-deprotonation (CMD) process. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Recommanded Product: 14667-47-1).

Methyl 2-aminonicotinate (cas: 14667-47-1) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. 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.Recommanded Product: 14667-47-1

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

Synthesis and biological activity of imidazopyridine anticoccidial agents: Part I was written by Scribner, Andrew;Dennis, Richard;Hong, Jean;Lee, Shuliang;McIntyre, Donald;Perrey, David;Feng, Dennis;Fisher, Michael;Wyvratt, Matthew;Leavitt, Penny;Liberator, Paul;Gurnett, Anne;Brown, Chris;Mathew, John;Thompson, Donald;Schmatz, Dennis;Biftu, Tesfaye. And the article was included in European Journal of Medicinal Chemistry in 2007.Safety of Methyl 4-fluoro-3-methylbenzoate This article mentions the following:

Coccidiosis is the major cause of morbidity and mortality in the poultry industry. Protozoan parasites of the genus Eimeria invade the intestinal lining of the avian host causing tissue pathol., poor weight gain, and in some cases mortality. Resistance to current anticoccidials has prompted the search for new therapeutic agents with potent in vitro and in vivo activity against Eimeria. Antiparasitic activity is due to inhibition of a parasite specific cGMP-dependent protein kinase (PKG). In this study, we present the synthesis and biol. activity of imidazo[1,2-a]pyridine anticoccidial agents. From this series, several compounds, e.g., I, showed subnanomolar in vitro activity and com. levels of in vivo activity. However, the potential genotoxicity of these compounds precludes them from further development. In the experiment, the researchers used many compounds, for example, Methyl 4-fluoro-3-methylbenzoate (cas: 180636-50-4Safety of Methyl 4-fluoro-3-methylbenzoate).

Methyl 4-fluoro-3-methylbenzoate (cas: 180636-50-4) 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.Safety of Methyl 4-fluoro-3-methylbenzoate

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

In vitro α-glucosidase and α-amylase inhibitory potential and molecular docking studies of benzohydrazide based imines and thiazolidine-4-one derivatives was written by Ullah, Hayat;Uddin, Imad;Rahim, Fazal;Khan, Fahad;Sobia;Taha, Muhammad;Khan, Misbah Ullah;Hayat, Shawkat;Ullah, Munzer;Gul, Zarif;Ullah, Shaheed;Zada, Hussan;Hussain, Javid. And the article was included in Journal of Molecular Structure in 2022.Product Details of 118-61-6 This article mentions the following:

Benzohydrazide based imine derivatives (1c-16c) and thiazolidine-4-one derivatives (1d-16d) were synthesized and characterized with different spectroscopic techniques i.e. HREI-MS, 1HNMR and 13CNMR. The synthesized analogs were examined for antidiabetic potential and hence evaluated against α-glucosidase and α-amylase enzyme. Benzohydrazide based imine derivatives showed outstanding α-glucosidase inhibition ranging from 5.60 ± 0.30 to 38.10 ± 0.30 μM when compared with acarbose (IC50 = 38.45 ± 0.80 μM). Compound 5c (IC50 = 5.60 ± 0.30 μM) has m/p-dihydroxyl groups at Ph ring while compound 15c (IC50 = 7.30 ± 0.10 μM) has one p-hydroxyl group present at Ph ring were most potent in the imine series. Mol. docking study further support that hydrogen bonding is predominant. Thiazolidin-4-one derivatives (1d-16d) were screen against α-amylase enzyme and were found to show excellent potential with IC50 values ranging from 0.40 ± 0.05 to 22.11 ± 1.20 μM when compared with standard acarbose (IC50 = 0.91 ± 0.20 μM). The most potent analog in the series was 5d (IC50 = 0.40 ± 0.05 μM) when compared with standard Mol. docking study was carried out for active site determination and to rationalize the activities of the active compounds In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Product Details of 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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.Product Details of 118-61-6

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

The direct conversion of aromatic nitro compounds to isocyanates by carbon monoxide was written by Hardy, William B.;Bennett, Robert Putnam. And the article was included in Tetrahedron Letters in 1967.Safety of 3-Cyanophenylisocyanate This article mentions the following:

PhNO2 (24.6 g.), 5 g. 5% Rh/C (dried under N at 350°), 0.4 g. anhydrous FeCl3, and 100 ml. C6H6 in a 250 ml. glass lined autoclave at 500 atm. CO agitated 5.5 hrs. at 190°, the cooled autoclave discharged under N and the mixture freed from catalyst by filtration, the presence of PhNCO shown by ir and vapor phase chromatography, and the solution distilled in vacuo gave 8.3 g. pure PhNCO, b15 57°, together with 6.2 g. residue consisting of (PhNH)2CO and (PhNHCO)2NPh. No evidence for PhN:NPh, PhN(O):NPh, or any other product was obtained by vapor phase chromatographic analysis. The nitro compounds RC6H4NO2 (R = o-Me, p-Me, m-Cl, m-CF3, and m-CN) were similarly converted to the corresponding diarylurea. The reactions were carried out at 200-1350 atm. and 150-225° in stainless steel, glass-lined, or tantalum-lined autoclaves using C6H6, PhCl, C6H12, FCl2CCF2Cl as solvents, in the presence of a catalyst system consisting of a noble metal and a Lewis acid (FeCl3, FeCl2, FeBr3, AlCl3, AlBr3, SnCl4, CuCl2, and anhydrous HCl). The noble metal was supported, unsupported, or in the form of a salt, oxide, or complex. Highest yields were obtained with Pd or Rh on Al2O3 or C with FeCl3 as co-catalyst. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Safety of 3-Cyanophenylisocyanate).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. 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.Safety of 3-Cyanophenylisocyanate

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

Electron-transfer induced rearrangement of thiocyanate to isothiocyanate was written by Wakamatsu, Kan;Dairiki, Jun;Etoh, Tetsuo;Yamamoto, Hiroshi;Yamamoto, Satoshi;Shigetomi, Yasumasa. And the article was included in Tetrahedron Letters in 2000.HPLC of Formula: 2740-88-7 This article mentions the following:

Benzyl thiocyanates with an electron-withdrawing group (1a, 1b) and 9-fluorenyl thiocyanate (1e) rearrange to the corresponding isothiocyanate (2) under 9,10-diphenylanthracene (DPA) sensitization. The rearrangement would proceed via carbon-sulfur bond cleavage in an anion radical of 1 produced by photoinduced electron transfer, followed by back electron transfer to DPA and recombination of the resulting radical or ion pair. In the experiment, the researchers used many compounds, for example, 4-Fluorobenzylisothiocyanate (cas: 2740-88-7HPLC of Formula: 2740-88-7).

4-Fluorobenzylisothiocyanate (cas: 2740-88-7) 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. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.HPLC of Formula: 2740-88-7

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

Synthesis and Herbicidal Activity of Pyrido[2,3-d]pyrimidine-2,4-dione-Benzoxazinone Hybrids as Protoporphyrinogen Oxidase Inhibitors was written by Wang, Da-Wei;Li, Qian;Wen, Kai;Ismail, Ismail;Liu, Dan-Dan;Niu, Cong-Wei;Wen, Xin;Yang, Guang-Fu;Xi, Zhen. And the article was included in Journal of Agricultural and Food Chemistry in 2017.Recommanded Product: Methyl 2-aminonicotinate This article mentions the following:

To search for new protoporphyrinogen oxidase (PPO, EC 1.3.3.4) inhibitors with improved bioactivity, a series of novel pyrido[2,3-d]pyrimidine-2,4-dione-benzoxazinone hybrids were designed and synthesized. Several compounds with improved tobacco PPO (mtPPO)-inhibiting and promising herbicidal activities were found. Among them, the most potent compound, 3-(7-fluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, (I), with a K_i value of 0.0074 μM, showed six times more activity than flumioxazin (K_i = 0.046 μM) against mtPPO. Compound I displayed a strong and broad spectrum of weed control at 37.5-150 g of active ingredient (ai)/ha by both post- and pre-emergence application, which was comparable to that of flumioxazin. I was safe to maize, soybean, peanut, and cotton at 150 g ai/ha, and selective to rice and wheat at 75 g ai/ha by preemergence application, indicating potential applicability in these fields. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Recommanded Product: Methyl 2-aminonicotinate).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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. 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.Recommanded Product: Methyl 2-aminonicotinate

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

A New Entry into 2-Azabicyclo[2.1.1]hexanes via 3-(Chloromethyl)cyclobutanone was written by Stevens, Christian;De Kimpe, Norbert. And the article was included in Journal of Organic Chemistry in 1996.Safety of Methyl 3,3-dimethoxycyclobutanecarboxylate This article mentions the following:

2-Azabicyclo[2.1.1]hexanes, which possess the skeleton of 2,4-methanoproline (a naturally occurring insect antifeedant), were synthesized by imination of the previously unknown 3-(chloromethyl)cyclobutanone and subsequent reductive cyclization. The precursor of the latter, 3-oxocyclobutane-1-carboxylic acid, was prepared by two pathways in multigram quantities. In the experiment, the researchers used many compounds, for example, Methyl 3,3-dimethoxycyclobutanecarboxylate (cas: 98231-07-3Safety of Methyl 3,3-dimethoxycyclobutanecarboxylate).

Methyl 3,3-dimethoxycyclobutanecarboxylate (cas: 98231-07-3) 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. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Safety of Methyl 3,3-dimethoxycyclobutanecarboxylate

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

Synthesis of new tripodal tri-functionalized hydrotris(indazol-1-yl)borate ligands and x-ray structures of their cyclopentadieneruthenium complexes was written by Carella, Alexandre;Vives, Guillaume;Cox, Tara;Jaud, Joel;Rapenne, Gwenael;Launay, Jean-Pierre. And the article was included in European Journal of Inorganic Chemistry in 2006.Name: Ethyl 3-amino-4-methylbenzoate This article mentions the following:

Two tripodal ligands designed to anchor complexes onto surfaces were synthesized. K hydrotris[6-(ethoxycarbonyl)indazolyl]borate and K hydrotris{6-[(ethylthio)methyl]indazolyl}borate exhibit three pendant groups oriented to anchor complexes onto an oxide and a metallic surface, resp. They integrate ester or thioether functions at the 6-position of the indazoles. Their complexation with [RuCp(MeCN)₃]PF₆ yielded two piano-stool-shaped complexes that were characterized by x-ray diffraction. Comparison with the synthesized unfunctionalized analog showed that the three 6-substituted functions do not interfere with the coordination site and are particularly well oriented for surface deposition. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Name: Ethyl 3-amino-4-methylbenzoate).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) 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. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Name: Ethyl 3-amino-4-methylbenzoate

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

Sensory and chemical characterization of Chinese bog bilberry wines using Check-all-that-apply method and GC-Quadrupole-MS and GC-Orbitrap-MS analyses was written by Lin, Yanxin;Liu, Yaran;Liu, Shuxun;Kortesniemi, Maaria;Liu, Jiani;Zhu, Baoqing;Laaksonen, Oskar. And the article was included in Food Research International in 2022.Category: esters-buliding-blocks This article mentions the following:

The sensory and chem. profiles of com. bog bilberry (BB) wines were investigated using a multi-anal. approach. Sensory test included scaling and check-all-that-apply (CATA) method with questions on liking of BB wine. The sensory data was correlated with their volatile compound profiles determined using gas chromatog. coupled with quadrupole and orbitrap mass spectrometry (GC-Quadrupole/Orbitrap-MS). In general, all BB wines were characterized with “fruity”, “blueberry” and “floral” odors and “sour”, “mouth puckering” and “sweet” flavors. Samples more frequently characterized as “fruity” and “floral” in CATA were preferred by the panelists (n = 93). High relative proportions of o-cymene, p-cymenene, 1-octen-3-one and 3-ethylphenol in a sample (described as “ginger” and “chili”) resulted in a lower liking rating. Similarly, generally disliked sample described with “Chinese herbs” and “licorice” was characterized by compounds 3-methylpentan-1-ol, 1,1,6-trimethyl-1,2-dihydronaphthalene, and 4-vinylphenol. The data will give novel information for berry wine and beverage industry on the quality factors of BB wines linked to higher acceptance. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Category: esters-buliding-blocks).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Category: esters-buliding-blocks

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

Functionalized bicyclic tetramates derived from cysteine as antibacterial agents was written by Panduwawala, Tharindi D.;Iqbal, Sarosh;Thompson, Amber L.;Genov, Miroslav;Pretsch, Alexander;Pretsch, Dagmar;Liu, Shuang;Ebright, Richard H.;Howells, Alison;Maxwell, Anthony;Moloney, Mark G.. And the article was included in Organic & Biomolecular Chemistry in 2019.COA of Formula: C16H22O11 This article mentions the following:

Routes to bicyclic tetramates derived from cysteine permitting ready incorporation of functionality at two different points around the periphery of a heterocyclic skeleton are reported. This has enabled the identification of systems active against Gram-pos. bacteria, some of which show gyrase and RNA polymerase inhibitory activity. In particular, tetramates substituted with glycosyl side chains, chosen to impart polarity and aqueous solubility, show high antibacterial activity coupled with modest gyrase/polymerase activity in two cases. An anal. of physicochem. properties indicates that the antibacterially active tetramates generally occupy physicochem. space with MW of 300-600, clog D_7.4 of -2.5 to 4 and rel. PSA of 11-22%. This work demonstrates that biol. active 3D libraries are readily available by manipulation of a tetramate skeleton. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4COA of Formula: C16H22O11).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.COA of Formula: C16H22O11

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