Tag: 100-200

Name: 3-(Methoxycarbonyl)benzoic acidOn May 11, 2020 ,《Formal C-H Carboxylation of Unactivated Arenes》 appeared in Chemistry – A European Journal. The author of the article were Gevorgyan, Ashot; Hopmann, Kathrin H.; Bayer, Annette. The article conveys some information:

A formal C-H carboxylation of unactivated arenes e.g., I using CO2 in green solvents is described. The present strategy combines a sterically controlled Ir-catalyzed C-H borylation followed by a Cu-catalyzed carboxylation of the in situ generated organoboronates. The reaction is highly regioselective for the C-H carboxylation of unactivated arenes e.g., I (1,3-disubstituted and 1,2,3-trisubstituted benzenes, 1,2- or 1,4-sym. substituted benzenes, fluorinated benzenes and different heterocycles). The developed methodol. was applied to the late-stage C-H carboxylation of com. drugs and ligands. In addition to this study using 3-(Methoxycarbonyl)benzoic acid, there are many other studies that have used 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Name: 3-(Methoxycarbonyl)benzoic acid) was used in this study.

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Name: 3-(Methoxycarbonyl)benzoic acid Polyesters are important plastics, with monomers linked by ester moieties.

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

《Cobalt-Catalysed Reductive Etherification Using Phosphine Oxide Promoters under Hydroformylation Conditions》 was written by Delolo, Fabio G.; Fessler, Johannes; Neumann, Helfried; Junge, Kathrin; dos Santos, Eduardo N.; Gusevskaya, Elena V.; Beller, Matthias. Recommanded Product: 6149-41-3This research focused onunsym ether chemoselective preparation; benzaldehyde alc reductive etherification phosphine oxide hydroformylation cobalt catalyst; base-metal catalysis; cobalt; etherification; hydrogenation; phosphine oxides. The article conveys some information:

A phosphine-oxide-promoted, cobalt-catalyzed reductive etherification using syngas as a reductant was reported. This novel methodol. was successfully used to prepare a broad range of unsym. ethers R1CH2OR2 [R1 = Ph, 1-naphthyl, 2-naphthyl, etc.; R2 = Me, i-Pr, cyclohexyl, etc.] from various aldehydes and alcs. containing diverse functional groups, and was scaled-up to multigram scale under comparably mild conditions. Mechanistic experiments supported an acetalization-hydrogenation sequence. In the experiment, the researchers used many compounds, for example, Methyl 3-hydroxypropanoate(cas: 6149-41-3Recommanded Product: 6149-41-3)

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. 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. Recommanded Product: 6149-41-3

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

Application of 403-33-8In 2021 ,《Super hydride catalyzed ester and isocyanate hydroboration》 was published in Journal of Organometallic Chemistry. The article was written by Du, Zonggang; Behera, Bedabyas; Kumar, Arun; Ding, Yi. The article contains the following contents:

Com. available, eco-friendly Li triethylborohydride (LiHBEt3, Super hydride) is an excellent catalyst for the solvent-free hydroboration of esters using pinacolborane at ambient reaction conditions. This was achieved with a low catalyst loading of 0.1 mol%. The protocol was further extended to the hydroboration of isocyanates with different stoichiometries, which displayed a clear chemo-selective catalytic activity towards the cleavage of C:N and C:O bonds. Compared with the previously reported catalysts, LiHBEt3 catalyzes in a short reaction time with solvent free conditions to provide nearly quant. products. The experimental process involved the reaction of Methyl 4-fluorobenzoate(cas: 403-33-8Application of 403-33-8)

Methyl 4-fluorobenzoate(cas: 403-33-8) can be used in the synthesis of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH2-substituted benzyl moiety.Application of 403-33-8

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

In 2022,Ding, Lu; Song, Hao; Zheng, Chao; You, Shu-Li published an article in Journal of the American Chemical Society. The title of the article was 《Enantioselective Synthesis of Medium-Sized-Ring Lactones via Iridium-Catalyzed Z-Retentive Asymmetric Allylic Substitution Reaction》.Safety of Ethyl 2-methyl-3-oxobutanoate The author mentioned the following in the article:

An enantioselective synthesis of medium-sized-ring lactones, e.g., I, by iridium-catalyzed Z-retentive asym. allylic substitution reaction was reported. The reaction features mild conditions and a broad substrate scope. Various eight- to 11-membered-ring lactones can be afforded in moderate to excellent yields (up to 88%) and excellent enantioselectivity (up to 99% ee). The utilization of both Z-allyl precursors and Ir catalyst is critical for the medium-sized ring formation. The experimental process involved the reaction of Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3Safety of Ethyl 2-methyl-3-oxobutanoate)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Safety of Ethyl 2-methyl-3-oxobutanoate

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

In 2022,Nara, Susheel J.; Jogi, Srinivas; Cheruku, Srinivas; Kandhasamy, Sarkunam; Jaipuri, Firoz; Kathi, Pavan Kalyan; Reddy, Subba; Sarodaya, Sanket; Cook, Erica M.; Wang, Tao; Sitkoff, Doree; Rossi, Karen A.; Ruzanov, Max; Kiefer, Susan E.; Khan, Javed A.; Gao, Mian; Reddy, Satyanarayana; Sivaprasad LVJ, Sankara; Sane, Ramola; Mosure, Kathy; Zhuo, Xiaoliang; Cao, Gary G.; Ziegler, Milinda; Azzara, Anthony; Krupinski, John; Soars, Matthew G.; Ellsworth, Bruce A.; Wacker, Dean A. published an article in Journal of Medicinal Chemistry. The title of the article was 《Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis》.Formula: C4H7NO2S The author mentioned the following in the article:

While several farnesoid X receptor (FXR) agonists under clin. investigation for the treatment of nonalcoholic steatohepatitis (NASH) have shown beneficial effects, adverse effects such as pruritus and elevation of plasma lipids have limited their clin. efficacy and approvability. Herein, we report the discovery and preclin. evaluation of compound 32 (BMS-986339), a nonbile acid FXR agonist with a pharmacol. distinct profile relative to our previously reported agonist BMS-986318. Compound 32 exhibited potent in vitro and in vivo activation of FXR, albeit with a context-dependent profile that resulted in tissue-selective effects in vivo. To our knowledge, this is the first report that demonstrates differential induction of Fgf15 in the liver and ileum by FXR agonists in vivo. Compound 32 demonstrated robust antifibrotic efficacy despite reduced activation of certain genes in the liver, suggesting that the addnl. pharmacol. of BMS-986318 does not further benefit efficacy, possibly presenting an opportunity for reduced adverse effects. Further evaluation in humans is warranted to validate this hypothesis. In the part of experimental materials, we found many familiar compounds, such as Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Formula: C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Formula: C4H7NO2S

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

In 2022,Kong, Bo; Zhu, Zhaohong; Li, Hongmei; Hong, Qianqian; Wang, Cong; Ma, Yu; Zheng, Wan; Jiang, Fei; Zhang, Zhimin; Ran, Ting; Bian, Yuanyuan; Yang, Na; Lu, Tao; Zhu, Jiapeng; Tang, Weifang; Chen, Yadong published an article in European Journal of Medicinal Chemistry. The title of the article was 《Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy》.Reference of Ethyl 3-oxopentanoate The author mentioned the following in the article:

As epigenetic readers, bromodomain and extra-terminal domain (BET) family proteins bind to acetylated-lysine residues in histones and recruit protein complexes to promote transcription initiation and elongation. Inhibition of BET bromodomains by small mol. inhibitors has emerged as a promising therapeutic strategy for cancer. Herein, we describe our efforts toward the discovery of a novel series of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as BET inhibitors. Intensive structural modifications led to the identification of compound 35f as the most active inhibitor of BET BRD4 with selectivity against BET family proteins. Further biol. studies revealed that compound 35f can arrest the cell cycle in G0/G1 phase and induce apoptosis via decreasing the expression of c-Myc and other proteins related to cell cycle and apoptosis. More importantly, compound 35f showed favorable pharmacokinetic properties and antitumor efficacy in MV4-11 mouse xenograft model with acceptable tolerability. These results indicated that BET inhibitors could be potentially used to treat hematol. malignancies and some solid tumors.Ethyl 3-oxopentanoate(cas: 4949-44-4Reference of Ethyl 3-oxopentanoate) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Reference of Ethyl 3-oxopentanoate

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

Xu, Yan; Gan, Quan; Samkian, Adrian E.; Ko, Jeong Hoon; Grubbs, Robert H. published an article in 2022. The article was titled 《Bulky Cyclometalated Ruthenium Nitrates for Challenging Z-Selective Metathesis: Efficient One-Step Access to α-Oxygenated Z-Olefins from Acrylates and Allyl Alcohols》, and you may find the article in Angewandte Chemie, International Edition.Related Products of 2495-35-4 The information in the text is summarized as follows:

The efficient Z-selective metathesis of various terminal acrylates and allyl alcs., which enabled facile and selective construction of high value-added α-oxygenated Z-olefins from readily available feedstock chems. was reported. These challenging metathesis transformations were enabled by novel cyclometalated Ru-carbene-nitrate complexes bearing bulky-yet-flexible side arms, whose assembly was unlocked by new organometallic syntheses. After reading the article, we found that the author used Benzyl acrylate(cas: 2495-35-4Related Products of 2495-35-4)

Benzyl acrylate(cas: 2495-35-4) has been used in preparation of high refractive index polyacrylates. Benzyl acrylate is used in the preparation of heptanoic acid benzyl ester. It is used to prepare polybenzylacrylate using azobisisobutyronitrile as initiator.Related Products of 2495-35-4

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

Baruah, Swagata; Sultana, Sabera; Bhorali, Pratiksha; Saikia, Pallabi; Gogoi, Sanjib published an article in 2021. The article was titled 《Ru(II)-Catalyzed cascade decarbonylative annulation and dehydrogenative alkenylation reactions: synthesis of phthalides》, and you may find the article in Organic & Biomolecular Chemistry.Recommanded Product: 2495-35-4 The information in the text is summarized as follows:

A novel Ru(II)-catalyzed decarbonylative annulation and direct C-H functionalization reaction of phthalic anhydrides I (R = H, F; R1 = H, Me, OMe, F, CF3; R2 = H, F) with acrylates R3O(CO)CH=CH2 (R3 = t-Bu, Bn, cyclohexyl, etc.) is reported. This reaction provides an efficient route for the synthesis of 3,7-disubstituted phthalides II. The experimental process involved the reaction of Benzyl acrylate(cas: 2495-35-4Recommanded Product: 2495-35-4)

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.Recommanded Product: 2495-35-4

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

Fang, Lincheng; Tian, Jiping; Zhang, Kaixuan; Zhang, Xiaoyi; Liu, Yingqiao; Cheng, Zhibo; Zhou, Jinpei; Zhang, Huibin published an article in 2021. The article was titled 《Discovery of 1,3,4-oxadiazole derivatives as potential antitumor agents inhibiting the programmed cell death-1/programmed cell death-ligand 1 interaction》, and you may find the article in Bioorganic & Medicinal Chemistry.Application of 16982-21-1 The information in the text is summarized as follows:

Inhibition of the programmed cell death-1 (PD-1)/programmed cell death-ligand 1 (PD-L1) interaction by small-mol. inhibitors is emerging cancer immunotherapy. A series of novel 1,3,4-oxadiazole derivatives were designed, synthesized, and evaluated for their activities in vitro and vivo to find potent inhibitors of the PD-1/PD-L1 interaction. Among them, compound II-14 exhibited outstanding biochem. activity, with an IC50 of 0.0380 μM. Importantly, compound II-14, with a TGI value of 35.74 %, had more potent efficacy in a mouse tumor model compared to that in the control group. Surprisingly, when compound II-14 combined with 5-FU in a mouse tumor model having a TGI value of 64.59 %, which showed potential anti-tumor synergistic effects. Furthermore, immunohistochem. anal. demonstrated that compound II-14 activated the immune microenvironment by promoting the infiltration of CD4+ T cells into tumor tissues. These results indicate that compound II-14 is a promising lead compound for further development of small-mol. PD-1/PD-L1 inhibitors for cancer therapy. In addition to this study using Ethyl 2-amino-2-thioxoacetate, there are many other studies that have used Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Application of 16982-21-1) was used in this study.

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Application of 16982-21-1

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

Pan, Qi; Ping, Yuanyuan; Wang, Yifan; Guo, Ya; Kong, Wangqing published an article in 2021. The article was titled 《Ni-Catalyzed Ligand-Controlled Regiodivergent Reductive Dicarbofunctionalization of Alkenes》, and you may find the article in Journal of the American Chemical Society.Reference of Benzyl acrylate The information in the text is summarized as follows:

Transition-metal-catalyzed dicarbofunctionalization of alkenes involving intramol. Heck cyclization followed by intermol. cross-coupling has emerged as a powerful engine for building heterocycles with sterically congested quaternary carbon centers. However, only exo-cyclization/cross-coupling products can be obtained; endo-selective cyclization/cross-coupling has not been reported yet and still poses a formidable challenge. We herein report the first example of catalyst-controlled dicarbofunctionalization of alkenes for the regiodivergent synthesis of five- and six-membered benzo-fused lactams bearing all-carbon quaternary centers. Using a chiral Pyrox- or Phox-type bidentate ligand, 5-exo cyclization/cross-couplings proceed favorably to produce indole-2-ones in good yields with excellent regioselectivity and enantioselectivities (up to 98% ee). When C6-carboxylic acid-modified 2,2′-bipyridine was used as the ligand, 3,4-dihydroquinolin-2-ones were obtained in good yields through 6-endo-selective cyclization/cross-coupling processes. This transformation is modular and tolerant of a variety of functional groups. The ligand rather than the substrate structures precisely dictates the regioselectivity pattern. Moreover, the synthetic value of this regiodivergent protocol was demonstrated by the preparation of biol. relevant mols. and structural scaffolds. The experimental part of the paper was very detailed, including the reaction process of Benzyl acrylate(cas: 2495-35-4Reference of Benzyl acrylate)

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.Reference of Benzyl acrylate

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