Tag: 200-300

3-{[4-(4-Pyridyl)pyrimidin-2-yl]sulfanylmethyl}benzoic acid was written by Zhu, Hai-Bin;Wang, Hai;Ji, Jun-Feng. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2008.Quality Control of 3-(Bromomethyl)benzoic acid This article mentions the following:

The title compound, C₁₇H₁₃N₃O₂S, was prepared by reaction of 4-(4-pyridyl)pyrimidine-2-thiol with 3-(bromomethyl)benzoic acid under basic conditions. Each pair of mols. is mutually linked via O-H…N hydrogen bonds, forming a dimer. The packing of the dimers is stabilized by C-H…π interactions involving the methylene unit of the -CH₂S- linkage and benzene rings. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Quality Control of 3-(Bromomethyl)benzoic acid).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Quality Control of 3-(Bromomethyl)benzoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Novel acetylcholinesterase inhibitors: Synthesis and structure-activity relationships of phthalimide alkyloxyphenyl N,N-dimethylcarbamate derivatives was written by Zhao, Qianfei;Yang, Guoquan;Mei, Xiangdong;Yuan, Huizhu;Ning, Jun. And the article was included in Pesticide Biochemistry and Physiology in 2009.Formula: C13H14BrNO2 This article mentions the following:

Based on the multiple binding sites of acetylcholinesterase (AChE), a series of AChE inhibitors: phthalimide alkyloxyphenyl N,N-dimethylcarbamate were designed and synthesized. AChE inhibitory activity and structure-activity relationship of the compounds were researched also. The influence of structural variations on the inhibitory potency was carefully investigated by modifying different alkyloxy chain length and position between phthalimide and Ph N,N-dimethylcarbamate (PDM). The biol. properties of the series were investigated by considering the activity on isolated enzyme. Some of the newly synthesized derivatives, when tested on isolated AChE from head of housefly (Musca domestica), were more active than PDM. The compounds J1, J2 and K1-K8 demonstrated higher inhibitory activity (5- to 404-fold) for AChE than that of PDM. In particular, compound K1 displayed the best AChE inhibition (404-fold higher than PDM), which suggested that phthalimide group of K1 strongly bound at the residues lining the gorge while Ph N,N-dimethylcarbamate bound at the catalytic site. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Formula: C13H14BrNO2).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Formula: C13H14BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and structure-activity relationships of novel arylpiperazines as potent antagonists of α1-adrenoceptor was written by Silva, Renata Oliveira;de Oliveira, Andressa Souza;Nunes Lemes, Lais Flavia;de Camargo Nascente, Luciana;Coelho do Nascimento Nogueira, Patricia;Silveira, Edilberto R.;Brand, Guilherme D.;Vistoli, Giulio;Cilia, Antonio;Poggesi, Elena;Buccioni, Michela;Marucci, Gabriella;Bolognesi, Maria Laura;Romeiro, Luiz Antonio Soares. And the article was included in European Journal of Medicinal Chemistry in 2016.Electric Literature of C9H11BrO This article mentions the following:

Arylpiperazines 2-11 were synthesized, and their biol. profiles at α1-adrenergic receptors (α1-ARs) assessed by binding assays in CHO cells expressing human cloned subtypes and by functional experiments in isolated rat vas deferens (α1A), spleen (α1B), and aorta (α1D). Modifications at the 1,3-benzodioxole and Ph phamacophoric units resulted in the identification of a number of potent compounds (moderately selective with respect to the α1b-AR), in binding experiments Notably, compound 7 (LDT451) showed a subnanomolar pK_i of 9.41 towards α1a-AR. An encouragingly lower α1B-potency was a general trend for all the series of compounds, which showed α1A/D over α1B selectivity in functional assays. If adequately optimized, such peculiar selectivity could have relevance for a potential LUTS/BPH therapeutic application. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Electric Literature of C9H11BrO).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Electric Literature of C9H11BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of Quinazolines and Tetrahydroquinazolines: Copper-Catalyzed Tandem Reactions of 2-Bromobenzyl Bromides with Aldehydes and Aqueous Ammonia or Amines was written by Fan, Xuesen;Li, Bin;Guo, Shenghai;Wang, Yuanyuan;Zhang, Xinying. And the article was included in Chemistry – An Asian Journal in 2014.Recommanded Product: 2-Bromo-4-fluorobenzylbromide This article mentions the following:

An efficient synthesis of diversely substituted quinazolines and 1,2,3,4-tetrahydroquinazolines through copper-catalyzed tandem reactions of the readily available 2-bromobenzyl bromides, aldehydes, and aqueous ammonia or amines has been developed. By using ammonia and simple aliphatic amines as the nitrogen source, the present method provides a versatile and practical protocol for the synthesis of quinazolines and 1,2,3,4-tetrahydroquinazolines. E.g., in presence of Cu(OAc)₂ and DMAP in DMSO at 80 °C, reaction of 2-BrC₆H₄CH₂Br, 4-MeC₆H₄CHO and aqueous ammonia gave 64% quinazoline derivative I. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0Recommanded Product: 2-Bromo-4-fluorobenzylbromide).

2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Recommanded Product: 2-Bromo-4-fluorobenzylbromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery of a Novel Class of D-Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform was written by Tang, Haifeng;Jensen, Kristian;Houang, Evelyne;McRobb, Fiona M.;Bhat, Sathesh;Svensson, Mats;Bochevarov, Art;Day, Tyler;Dahlgren, Markus K.;Bell, Jeffery A.;Frye, Leah;Skene, Robert J.;Lewis, James H.;Osborne, James D.;Tierney, Jason P.;Gordon, James A.;Palomero, Maria A.;Gallati, Caroline;Chapman, Robert S. L.;Jones, Daniel R.;Hirst, Kim L.;Sephton, Mark;Chauhan, Alka;Sharpe, Andrew;Tardia, Piero;Dechaux, Elsa A.;Taylor, Andrea;Waddell, Ross D.;Valentine, Andrea;Janssens, Holden B.;Aziz, Omar;Bloomfield, Dawn E.;Ladha, Sandeep;Fraser, Ian J.;Ellard, John M.. And the article was included in Journal of Medicinal Chemistry in 2022.Electric Literature of C8H6BrFO2 This article mentions the following:

D-Serine is a coagonist of the N-Me D-aspartate (NMDA) receptor, a key excitatory neurotransmitter receptor. In the brain, D-serine is synthesized from its L-isomer by serine racemase and is metabolized by the D-amino acid oxidase (DAO, DAAO). Many studies have linked decreased D-serine concentration and/or increased DAO expression and enzyme activity to NMDA dysfunction and schizophrenia. Thus, it is feasible to employ DAO inhibitors for the treatment of schizophrenia and other indications. Powered by the Schrödinger computational modeling platform, we initiated a research program to identify novel DAO inhibitors with the best-in-class properties. The program execution leveraged an hDAO FEP+ model to prospectively predict compound potency. A new class of DAO inhibitors with desirable properties has been discovered from this endeavor. Our modeling technol. on this program has not only enhanced the efficiency of structure-activity relationship development but also helped to identify a previously unexplored subpocket for further optimization. In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-4-fluorobenzoate (cas: 82702-31-6Electric Literature of C8H6BrFO2).

Methyl 3-bromo-4-fluorobenzoate (cas: 82702-31-6) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Electric Literature of C8H6BrFO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Studies on the Formal [3 + 2] Cycloaddition of Aziridines with Alkenes for the Synthesis of 1-Azaspiroalkanes was written by Martinand-Lurin, Elodie;Gruber, Raymond;Retailleau, Pascal;Fleurat-Lessard, Paul;Dauban, Philippe. And the article was included in Journal of Organic Chemistry in 2015.Application In Synthesis of 1-(3-Bromopropyl)-4-methoxybenzene This article mentions the following:

The Lewis acid-mediated [3+2] cycloaddition of N-sulfonyl- and N-sulfamoylaziridines with alkenes provides a rapid and efficient access to 1-azaspiro[4.n]alkanes. Exptl. studies have been combined with DFT calculations to explore the mechanism of the reaction. They demonstrate that the nature of the electron-withdrawing nitrogen protecting group has a very limited influence on the course of the reaction and, particularly, on the initial formation of the 1,3-zwitterionic species through C-N bond cleavage, which has been found to be the rate-determining step. Compared to N-sulfonylaziridines, N-sulfamoylaziridines have proved to be more synthetically useful synthons that afford crystalline polycyclic structures in good yields. A short sequence of catalytic C(sp³)-H amination-cyclization-[3+2] cycloaddition has then been successfully designed to afford the homolog 1-azaspiro[5.n]alkanes, thereby illustrating the higher versatility of sulfamates in these cycloadditions In the experiment, the researchers used many compounds, for example, 1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3Application In Synthesis of 1-(3-Bromopropyl)-4-methoxybenzene).

1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Application In Synthesis of 1-(3-Bromopropyl)-4-methoxybenzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fabrication and performance of all-solid-state dye-sensitized solar cells using synthetic carboxylated and pyridylated chlorophyll derivatives was written by Cui, Yuxiao;Zhao, Wenjie;Ogasawara, Shin;Wang, Xiao-Feng;Tamiaki, Hitoshi. And the article was included in Journal of Photochemistry and Photobiology, A: Chemistry in 2018.Electric Literature of C8H7BrO2 This article mentions the following:

All-solid-state dye-sensitized solar cells (DSSCs) based on a mesoporous TiO₂ electrode were fabricated using synthetic chlorophyll derivatives as a photosensitizer and 2,2′,7,7′-tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9′-spirobifluorene as a hole-transport material. Me pyropheophorbides-a possessing a carboxy group in the C3-substituent as the anchoring moiety to the TiO₂ surface were effective DSSCs. Direct conjugation of the COOH group with the terminus of the C3-vinyl group gave the highest solar energy-to-electricity conversion efficiency (η) of 2.25%. Insertion of a 1,3-phenylene group in the connection partially suppressed the efficiency by 25% (η = 1.68%), whereas insertion of an isomeric 1,4-phenylene moiety decreased to one third (0.75%). A pyridyl group was not useful as the sensitizer anchor due to its low binding affinity to the TiO₂ electrode. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Electric Literature of C8H7BrO2).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Electric Literature of C8H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Domino Direct Arylation and Cross-Aldol for Rapid Construction of Extended Polycyclic π-Scaffolds was written by Nitti, Andrea;Bianchi, Gabriele;Po, Riccardo;Swager, Timothy M.;Pasini, Dario. And the article was included in Journal of the American Chemical Society in 2017.Synthetic Route of C10H11BrO2 This article mentions the following:

Five-membered aromatic heterocycles are a ubiquitous skeleton of π-conjugated organic compounds, and their incorporation requires synthetic protocols that are not easily industrially sustainable or scalable. Improved methodologies for their insertion into π-scaffolds are therefore necessary. We report an efficient and scalable protocol involving a one-pot cross-Aldol direct arylation reaction protocol for the rapid construction of thiophene- and furan-based π-extended organic materials. In the experiment, the researchers used many compounds, for example, Ethyl (2-bromophenyl)acetate (cas: 2178-24-7Synthetic Route of C10H11BrO2).

Ethyl (2-bromophenyl)acetate (cas: 2178-24-7) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Synthetic Route of C10H11BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of α-Aryl Esters and Nitriles: Deaminative Coupling of α-Amino-Esters and α-Aminoacetonitriles with Arylboronic Acids was written by Wu, Guojiao;Deng, Yifan;Wu, Chaoqiang;Zhang, Yan;Wang, Jianbo. And the article was included in Angewandte Chemie, International Edition in 2014.Related Products of 2178-24-7 This article mentions the following:

Transition-metal-free synthesis of α-aryl esters and nitriles using arylboronic acids with α-amino esters and α-(amino)acetonitrile derivatives, resp., as starting materials has been developed. The reaction represents a rare case of converting C(sp³)-N bonds (carbon-nitrogen bonds) into C(sp³)-C(sp²) bonds (carbon-carbon bonds). The reaction conditions are mild, demonstrate good functional-group tolerance, and can be scaled up. The synthesis of the target compounds was achieved using glycine ester hydrochloride, leucine ester hydrochloride, aspartate ester hydrochloride, alanine ester hydrochloride as starting materials in a reaction with (aryl)boronic acids. The title compounds thus formed included benzeneacetic acid esters, 1-naphthaleneacetic acid ester, benzenepropanoic acid esters, α-phenyl-1H-indole-3-propanoic acid ester, benzenebutanoic acid ester and similar substances. A reaction of (aryl)boronic acids with α-(amino)acetonitrile gave α-(alkyl)benzeneacetonitrile derivatives Nitriles included α-(hexyl)benzeneacetonitrile, α-phenyl-3-thiophenepropanenitrile and similar compounds In the experiment, the researchers used many compounds, for example, Ethyl (2-bromophenyl)acetate (cas: 2178-24-7Related Products of 2178-24-7).

Ethyl (2-bromophenyl)acetate (cas: 2178-24-7) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Related Products of 2178-24-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Remarkably High Reactivity of Pd(OAc)₂/Pyridine Catalysts: Nondirected C-H Oxygenation of Arenes was written by Emmert, Marion H.;Cook, Amanda K.;Xie, Yushu J.;Sanford, Melanie S.. And the article was included in Angewandte Chemie, International Edition in 2011.Name: 3-Bromophenyl acetate This article mentions the following:

The rational optimization and general applicability of the catalytic system Pd(OAc)₂/pyridine is described (see scheme). The catalyst shows excellent reactivity in the C-H oxygenation of simple aromatic substrates. The Pd/pyridine ratio is critical as the use of one equivalent of pyridine per Pd center leads to dramatic enhancements in both reactivity and site selectivity in comparison to Pd(OAc)₂ alone. In the experiment, the researchers used many compounds, for example, 3-Bromophenyl acetate (cas: 35065-86-2Name: 3-Bromophenyl acetate).

3-Bromophenyl acetate (cas: 35065-86-2) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Name: 3-Bromophenyl acetate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary