Tag: M.W=100-200

HPLC of Formula: 1221435-18-2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 4-Bromo-1H-pyrrole-2-carbonitrile, is researched, Molecular C5H3BrN2, CAS is 1221435-18-2, about Organocatalytic enantioselective formal synthesis of bromopyrrole alkaloids via aza-Michael addition. Author is Lee, Su-Jeong; Youn, Seok-Ho; Cho, Chang-Woo.

An unprecedented organocatalytic enantioselective formal synthesis of bromopyrrole alkaloid natural products was reported. An organocatalytic aza-Michael addition using pyrroles as the N-centered nucleophile was utilized as the enantioselective step to construct the nitrogen-substituted stereogenic carbon center in bromopyrrole alkaloids in good yield and excellent enantioselectivity. The aza-Michael product was converted via lactamization using a Staudinger-type reductive cyclization to the key intermediate, which was previously used in the total synthesis of bromopyrrole alkaloid natural products.

《Organocatalytic enantioselective formal synthesis of bromopyrrole alkaloids via aza-Michael addition》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(4-Bromo-1H-pyrrole-2-carbonitrile)HPLC of Formula: 1221435-18-2.

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

Wischang, Diana; Hartung, Jens published an article about the compound: 4-Bromo-1H-pyrrole-2-carbonitrile( cas:1221435-18-2,SMILESS:BrC1=CNC(=C1)C#N ).Formula: C5H3BrN2. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1221435-18-2) through the article.

Ester-, cyano-, and carboxamide-substituted 1H-pyrroles undergo electrophilic aromatic bromination, if treated with hydrogen peroxide and sodium bromide at pH 6.2 and 20 °C. Oxidation of bromide under such conditions is catalyzed by a vanadate(V)-dependent bromoperoxidase, in a substrate/enzyme ratio of 32-63 μmol %. To obtain maximum yields of bromopyrroles (up to 91%) by spending the least amount of substrate and catalyst, hydrogen peroxide and sodium bromide have to be added continuously to the enzyme and the 2-acceptor-substituted pyrrole (1.5 m mol) in a solution of morpholine-4-ethanesulfonic acid buffer. This technique was applied to prepare two marine natural products under biomimetic conditions, i.e., Me 4,5-dibromopyrrole-2-carboxylate (from Agelas oroides) and 4,5-dibromopyrrole-2-carboxamide (from Acanthella carteri).

From this literature《Parameters for bromination of pyrroles in bromoperoxidase-catalyzed oxidations》,we know some information about this compound(1221435-18-2)Formula: C5H3BrN2, but this is not all information, there are many literatures related to this compound(1221435-18-2).

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

Chemistry can be defined as the study of matter and the changes it undergoes. You’ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 1117-71-1, Name is Methyl 4-bromobut-2-enoate, molecular formula is , belongs to esters-buliding-blocks compound. In a document, author is Cipolatti, Eliane Pereira, Quality Control of Methyl 4-bromobut-2-enoate.

Nanobiocatalysts were produced via immobilization of CalB lipase on polyurethane (PU) based nanoparticles and their application on the synthesis of important industrial productswas evaluated. Nanoparticles of polyurethane functionalizedwith poly(ethylene glycol) (PU-PEG) were synthetized through miniemulsion polymerization and the addition of crosslinking agentswere evaluated. The nanoparticleswere employed as support for CalB and the kinetic parameterswere reported. The performance of newbiocatalystswas evaluated on the hydrolysis reaction of p-NPB and on the enantioselective hydrolysis of (R,S)-mandelic acid. The esterification reactionwas evaluated on the production of ethyl esters of Omega-3. The effect of poly( ethylene glycol) molar mass (400, 4000 or 6000 Da)on the biocatalyst activitywas also analyzed. The PU-PEG6000-CalB showed the highest value of the kinetic parameters, highlighting the high reaction rate. The addition of trehalose as crosslinking agent improved the thermal stability of the biocatalysts. PU-PEG400-CalB was the most active nanobiocatalyst, exhibiting a ethyl esters production of 43.72 and 16.83 mM.U -1 using EPA and DHA, respectively. The nanobiocatalyst was also applied in enantiomeric resolution ofmandelic acid, showing promising enantiomeric ratios. The results obtained in this work present alternative and sustainable routes for the synthesis of important compounds used on food and pharmaceutical industries. (c) 2020 Elsevier B.V. All rights reserved.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 1117-71-1, in my other articles. Quality Control of Methyl 4-bromobut-2-enoate.

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

Synthetic Route of 623-53-0, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 623-53-0, Name is Ethyl methyl carbonate, SMILES is O=C(OC)OCC, belongs to esters-buliding-blocks compound. In a article, author is Hong, Frank T., introduce new discover of the category.

Fatty acid methyl esters (FAMEs, the primary components of biodiesel) can improve the lubricity of low-sulfur diesel (LSD); however, detailed investigations into biodiesel components with various chain lengths (e.g., short-chain FAMEs) are rarely discussed. Additionally, the complex lubricity behavior with FAMEs containing free fatty acids or antioxidants is unknown. Our results showed that lauric acid methyl ester brings limited fuel lubricity improvement to LSD. The presence of fatty acids and antioxidants facilitated the formation of different frictional products on wear tracks or eliminated wear-resistive products. We further interpret fuel lubricity results by resolving kinetic features of measured electrical contact resistances and chemical composition profiles within wear tracks from standardized tests. Beyond understanding how oxygenated compounds affect fuel lubricity, we expect that the analytical approaches demonstrated in this work can shed light on other fuel lubricity related problems.

Synthetic Route of 623-53-0, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 623-53-0.

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

Chemotherapy-induced cognitive dysfunction (chemobrain) is one of the major complaints for cancer patients treated with chemotherapy such as Doxorubicin (DOX). The induction of oxidative stress and neuroinflammation were identified as major contributors to such adverse effect. Caffeic acid phenethyl ester (CAPE) is a natural polyphenolic compound, that exhibits unique context-dependent antioxidant activity. It exhibits pro-oxidant effects in cancer cells, while it is a potent antioxidant and cytoprotective in normal cells. The present study was designed to investigate the potential neuroprotective effects of CAPE against DOX-induced cognitive impairment. Chemobrain was induced in Sprague Dawley rats via systemic DOX administration once per week for 4 weeks (2 mg/kg/week, i.p.). CAPE was administered at 10 or 20 mu mol/kg/day, i.p., 5 days per week for 4 weeks. Morris water maze (MWM) and passive avoidance tests were used to assess learning and memory functions. Oxidative stress was evaluated via the colorimetric determination of GSH and MDA levels in both hippocampal and prefrontal cortex brain regions. However, inflammatory markers, acetylcholine levels, and neuronal cell apoptosis were assessed in the same brain areas using immunoassays including either ELISA, western blotting or immunohistochemistry. DOX produced significant impairment in learning and memory as indicated by the data generated from MWM and step-through passive avoidance tests. Additionally DOXtriggered oxidative stress as evidenced from the reduction in GSH levels and increased lipid peroxidation. Treatment with DOX resulted in neuroinflammation as indicated by the increase in NF-kB (p65) nuclear translocation in addition to boosting the levels of pro-inflammatory mediators (COX-II/TNF-alpha) along with the increased levels of glial fibrillary acid protein (GFAP) in the tested tissues. Moreover, DOX reduced acetylcholine levels and augmented neuronal cell apoptosis as supported by the increased active caspase-3 levels. Co-treatment with CAPE significantly counteracted DOX-induced behavioral and molecular abnormalities in rat brain tissues. Our results provide the first preclinical evidence for CAPE promising neuroprotective activity against DOXinduced neurodegeneration and memory deficits.

If you are hungry for even more, make sure to check my other article about 103-09-3, Quality Control of 2-Ethylhexyl acetate.

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

Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter.3681-71-8, Name is cis-3-Hexenyl acetate, SMILES is CC(OCC/C=CCC)=O, belongs to esters-buliding-blocks compound. In a document, author is Eugene, Alexis, introduce the new discover, Computed Properties of https://www.ambeed.com/products/3681-71-8.html.

Background Arabinoxylan in grass cell walls is acylated to varying extents by ferulate and p-coumarate at the 5-hydroxy position of arabinosyl residues branching off the xylan backbone. Some of these hydroxycinnamate units may then become involved in cell wall radical coupling reactions, resulting in ether and other linkages amongst themselves or to monolignols or oligolignols, thereby crosslinking arabinoxylan chains with each other and/or with lignin polymers. This crosslinking is assumed to increase the strength of the cell wall, and impedes the utilization of grass biomass in natural and industrial processes. A method for quantifying the degree of acylation in various grass tissues is, therefore, essential. We sought to reduce the incidence of hydroxycinnamate ester hydrolysis in our recently introduced method by utilizing more anhydrous conditions. Results The improved methanolysis method minimizes the undesirable ester-cleavage of arabinose from ferulate and p-coumarate esters, and from diferulate dehydrodimers, and produces more methanolysis vs. hydrolysis of xylan-arabinosides, improving the yields of the desired feruloylated and p-coumaroylated methyl arabinosides and their diferulate analogs. Free ferulate and p-coumarate produced by ester-cleavage were reduced by 78% and 68%, respectively, and 21% and 39% more feruloyl and p-coumaroyl methyl arabinosides were detected in the more anhydrous method. The new protocol resulted in an estimated 56% less combined diferulate isomers in which only one acylated arabinosyl unit remained, and 170% more combined diferulate isomers conjugated to two arabinosyl units. Conclusions Overall, the new protocol for mild acidolysis of grass cell walls is both recovering more ferulate- and p-coumarate-arabinose conjugates from the arabinoxylan and cleaving less of them down to free ferulic acid, p-coumaric acid, and dehydrodiferulates with just one arabinosyl ester. This cleaner method, especially when coupled with the orthogonal method for measuring monolignol hydroxycinnamate conjugates that have been incorporated into lignin, provides an enhanced tool to measure the extent of crosslinking in grass arabinoxylan chains, assisting in identification of useful grasses for biomass applications.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 3681-71-8 is helpful to your research. Computed Properties of https://www.ambeed.com/products/3681-71-8.html.

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

Reference of 394-35-4, A common heterocyclic compound, 394-35-4, name is Methyl 2-fluorobenzoate, molecular formula is C8H7FO2, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

To a reactor under nitrogen atmosphere was added a toluene solution of ester 6 (LOO Wt, 1.0 eq), methyl 2-fluorobenzoate (0.91 Wt, 0.75 Vol 1.10 eq)5 and THF (0.53 Wt, 1.8 Vol). The solution was cooled to below -70 C. Lithium hexamethyldisilazide (LiHMDS, 1.0M in THF, 7.6 Wt, 8.6 Vol, 1,6 eq) was added at such rate that the internal temperature does not exceed -60°C.. After completion of the LiHMDS addition, the mixture was warmed (rate between 10-20C/h) and stirred at -40C for 1h. The reaction was monitored by GC (Conversion Target >95percent). If after 4h the conversion is still under targeted amount, additional LiHMDS 1M in THF was added (1.1 eq based on unreacted starting material). After achieving the target conversion, the internal temperature was raised (rate between 20-30°C/h) to 15 to 20 °C. 25 wtpercent aqueous ammonium chloride (1,7 Wt, 1.6 Vol) was added to the reactor keeping the internal temperature below 0 °C Upon completion of the addition, the mixture was warmed to ?0°C, and transferred to a vessel containing 25 wtpercent aqueous ammonium chloride (4.4 Wt, 4.1 Vol) and water (1.1 Wt, 1.1 Vol).The mixture was stirred for at least 30 min at 20-25 °C. The lower aqueous layer was removedand the organic layer was washed with 20 wt percent aqueous sodium chloride (3.0 Wt, 1.4 Vol). The mixture was stirred for at least 15 minutes then allowed to settle. The lower aqueous layer was removed. The organic phase was concentrated under reduce pressure (Jacket < 25 °C) untildistillation ceases. Toluene (6.6 Wt, 6.7 Vol) was added and the resulting mixture was washedwith water (3.0 Wt, 3.0 Vol), stirred for at least 15 min, then allowed to settle. The organics werewashed with water (3.0 Wt, 3.0 Vol) until pH is constant at pH=78. The organic phase was washed with 20percent aqueous sodium chloride (3.0 Wt, 1.4 Vol). The organic phase was concentrated under reduced pressure (jacket <25°C) to afford ketoester 11 (2.1 Wt) as an orangeoil. The synthetic route of 394-35-4 has been constantly updated, and we look forward to future research findings. Reference:
Patent; ???????????????????????????; ? Buranko; Kimu ?; Chan ?; ?; Yoshizawa Kazuhiro; (94 pag.)JP2016/121177; (2016); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Some common heterocyclic compound, 2150-38-1, name is Methyl 3,4-dimethoxybenzoate, molecular formula is C10H12O4, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. COA of Formula: C10H12O4

Example 1 Synthesis of 3,4-dimethoxy(4,4-dimethyl-3-oxopentanoyl)benzene In a 200 ml three-necked flask equipped with a mechanical stirrer, dropping funnel, reflux condenser, and a nitogen-inlet tube, 2.45 gm (61 mmol) of 60% sodium hydride, 10 gm (51 mmol) of methyl 3,4-dimethoxybenzoate, and 100 ml of anhydrous tetrahydrofuran were mixed with stirring under nitrogen stream, and refluxed with heating while 6.1 gm (61 mmol) of pinacolone was added dropwise. The refluxing under heat was continued for 7 hours. After cooling the reaction mixture, 30 ml of 2N hydrochloric acid was added and the mixture was extracted twice with chloroform. The extract was dried over anhydrous sodium sulfate and the solvent was removed by evaporation to give a crude product. Hexane was added to the crude product and insoluble substances were filtered off. The filtrate was concentrated by evaporation, and recrystallization afforded 8.9 gm of the target compound as colorless needles (yield: 65%). Melting Point: 52.3-53.3 C. IR(gammaKBr, cm-1): 1602, 1521, 1470, 1446, 1365, 1299, 1266, 1218, 1188, 1131, 885, 786, 729. 1 H-NMR(CDCl3, delta): 1.26(9 H, s, t-C4 H9), 3.95(3 H, s, OCH3), 3.96(3 H, s, OCH3), 6.24(1 H, s), 6.90(1 H, d, J=8.4 Hz), 7.49(1 H, s), 7.51(1 H, d, J=8.4 Hz). Elemental analysis: Calculated (%) C: 68.16, H: 7.63; Found (%) C: 68.23, H: 7.60.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 2150-38-1, its application will become more common.

Reference:
Patent; Kao Corporation; US5146002; (1992); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Electric Literature of 455-75-4, A common heterocyclic compound, 455-75-4, name is Ethyl 3-amino-4-fluorobenzoate, molecular formula is C9H10FNO2, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

Intermediate 33: N-{5-[(2-Chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide; Step A: Ethyl 3-{[(2,6-difluorophenyl)sulfonyl]amino}-4-fluorobenzoate; To a solution of ethyl 3-amino-4-fluorobenzoate (5.47 g, 30 mmol) and pyridine (2.55 mL, 33 mmol) in DCM (150 mL) was added 2,6-difluorobenzenesulfonyl chloride (4.45 mL, 33 mmol). The reaction was stirred overnight at rt. After 16 h, the reaction mixture was concentrated, triturated with ether, and dried in vacuo to generate 7.87 g (66% yield) of the product of Step A as a white powder. MS (ESI): 360 (M+H).

The synthetic route of 455-75-4 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Adams, Jerry Leroy; Dickerson, Scott Howard; Johnson, Neil W.; Kuntz, Kevin; Petrov, Kimberly; Ralph, Jeffrey M.; Rheault, Tara Renae; Schaaf, Gregory; Stellwagen, John; Tian, Xinrong; Uehling, David Edward; Waterson, Alex Gregory; Wilson, Brian; US2009/298815; (2009); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

These common heterocyclic compound, 175278-29-2, name is Methyl 5-fluoro-2-methylbenzoate, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. Computed Properties of C9H9FO2

A mixture of methyl 5-fluoro-2-methylbenzoate (0.5 g, 3.0 mmol),NBS (0.18 g, 3.0 mmol), and di-benzoyl peroxide (BPO) (36 mg, 0.15 mmol) in 1,2-dichloroethane (5 mL) was heated at 80 C for 12 huntil all starting material was consumed. The reaction was cooled to room temperature, and the precipitated solid was removed by filtration and washed with ethers (10 mL). The filtrate was concentrated in vacuo and the residue was partitioned between 2 N NaHCO3 (15 mL) and ethers (15 mL). The organic layer was separated, dried over MgSO4, filtered and concentrated to give a crude product (0.65 g, 89%), which was used in the next step reaction without further purification.

The synthetic route of Methyl 5-fluoro-2-methylbenzoate has been constantly updated, and we look forward to future research findings.

Reference:
Article; Huang, Junli; Deng, Xiaoyan; Zhou, Siru; Wang, Na; Qin, Yujun; Meng, Liuwei; Li, Guobao; Xiong, Yuhua; Fan, Yating; Guo, Ling; Lan, Danni; Xing, Junhao; Jiang, Weizhe; Li, Qing; Bioorganic and Medicinal Chemistry; vol. 27; 4; (2019); p. 644 – 654;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics