61698-07-5

Usage

Uses

Used in Pharmaceutical Industry:
Benzenepropanenitrile, 2-bromois utilized as an intermediate in the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
Benzenepropanenitrile, 2-bromoalso serves as an intermediate in the production of agrochemicals, playing a crucial role in the synthesis of pesticides and other agricultural chemicals that help protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
Benzenepropanenitrile, 2-bromois employed as a chemical intermediate and a reagent in organic synthesis. Its reactivity makes it a valuable building block for the creation of a wide range of organic compounds, facilitating the development of new materials and chemical processes.

Upstream product

• 590-17-0 cyanomethyl bromide 
• 3433-80-5 1-Bromo-2-bromomethyl-benzene 
• 99749-00-5 lithioacetonitrile 
• 178809-30-8 3-(2-bromo-phenyl)-acrylonitrile 
• 75-05-8 acetonitrile 
• 107-13-1 acrylonitrile 
• 88-65-3 2-bromobenzoic-acid 
• 55223-26-2 3-(2-bromophenyl)propanamide 
• 66191-86-4 3-(2-bromophenyl)propanoic acid,methyl ester 
• 15115-58-9 3-(2-bromophenyl)propionic acid 
• 1074-16-4 2-bromophenylethyl alcohol 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 583-55-1 1-Bromo-2-iodobenzene 

Downstream Products

• 65185-60-6 3-(2-bromophenyl)propan-1-amine 
• 280557-72-4 2-(o-bromobenzyl)-5-phenyl-4-pentenenitrile 
• 280557-71-3 2-(o-bromobenzyl)-5-methyl-4-hexenenitrile 
• 1445166-50-6 methyl 3-(4-((2-(2-cyanoethyl)phenyl)ethynyl)-2-fluorophenyl)propanoate 
• 1429427-39-3 3-(4-((2-(2-cyanoethyl)phenyl)ethynyl)-2-fluorophenyl)propanoic acid 
• 1310552-75-0 N-(3-(2-bromophenyl)propyl)-2,2,2-trifluoroacetamide 
• 83-33-0 inden-1-one 
• 2241982-86-3 3-(phenyl-2-d)propanenitrile-2,2-d2 
• 1268863-01-9 3-(3,4-dihydroquinolin-1(2H)-yl)-2-phenylquinoxaline-6-carboxylic acid 

Relevant academic research and scientific papers

Visible- And UV-Light-Induced Decarboxylative Radical Reactions of Benzoic Acids Using Organic Photoredox Catalysts

Photoinduced decarboxylative radical reactions of benzoic acids with electron-deficient alkenes, diborane, and acetonitrile under organic photoredox catalysis conditions and mild heating afforded adducts, arylboronate esters, and the reduction product, respectively. The reaction is thought to involve single-electron transfer promoted the generation of aryl radicals via decarboxylation. A diverse range of benzoic acids were found to be suitable substrates for this photoreaction. Only our two-molecule organic photoredox system can work well for the direct photoinduced decarboxylation of benzoic acids.

Transition-metal-free Intramolecular C-H amination of sulfamate esters and: N -alkylsulfamides

The transition-metal-free intramolecular C-H amination of sulfamate esters using iodine oxidants, tert-butyl hypoiodite (t-BuOI) and N-iodosuccinimide (NIS) is reported. A method using NIS was also successfully applied to the oxidative cyclization of N-alkylsulfamides.

meta-Selective C?H Borylation of Benzylamine-, Phenethylamine-, and Phenylpropylamine-Derived Amides Enabled by a Single Anionic Ligand

Selective functionalization at the meta position of arenes remains a significant challenge. In this work, we demonstrate that a single anionic bipyridine ligand bearing a remote sulfonate group enables selective iridium-catalyzed borylation of a range of common amine-containing aromatic molecules at the arene meta position. We propose that this selectivity is the result of a key hydrogen bonding interaction between the substrate and catalyst. The scope of this meta-selective borylation is demonstrated on amides derived from benzylamines, phenethylamines and phenylpropylamines; amine-containing building blocks of great utility in many applications.

Ametoctradin is a Potent Qo Site Inhibitor of the Mitochondrial Respiration Complex III

Ametoctradin is a new Oomycete-specific fungicide under development by BASF. It is a potent inhibitor of the bc1 complex in mitochondrial respiration. However, its detailed action mechanism remains unknown. In the present work, the binding mode of ametoctradin was first uncovered by integrating molecular docking, MD simulations, and MM/PBSA calculations, which showed that ametoctradin should be a Qo site inhibitor of bc1 complex. Subsequently, a series of new 1,2,4-triazolo[1,5-a]pyrimidine derivatives were designed and synthesized to further understand the substituent effects on the 5- and 6-position of 1,2,4-triazolo[1,5-a]pyrimidine. The calculated binding free energies (ΔGcal) of newly synthesized analogues as Qo site inhibitors correlated very well (R2 = 0.96) with their experimental binding free energies (ΔGexp). Two compounds (4a and 4c) with higher inhibitory activity against porcine SQR than ametoctradin were successfully identified. The structural and mechanistic insights obtained from the present study will provide a valuable clue for future designing of a new promising bc1 inhibitor.

Discovery of TUG-770: A highly potent free fatty acid receptor 1 (FFA1/GPR40) agonist for treatment of type 2 diabetes

Free fatty acid receptor 1 (FFA1 or GPR40) enhances glucose-stimulated insulin secretion from pancreatic β-cells and currently attracts high interest as a new target for the treatment of type 2 diabetes. We here report the discovery of a highly potent FFA1 agonist with favorable physicochemical and pharmacokinetic properties. The compound efficiently normalizes glucose tolerance in diet-induced obese mice, an effect that is fully sustained after 29 days of chronic dosing.

HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK

Disclosed herein are new heterocyclic compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.

Identification of a new biaryl scaffold generating potent renin inhibitors

The discovery and SAR of a series of potent renin inhibitors possessing a novel biaryl scaffold are described herein. Molecular modeling revealed that the cyclopropylamide spacer present in 1 can be replaced by a simple, substituted aromatic ring such as

RENIN INHIBITORS

The present invention relates to biphenyl compounds of formula (I). These compounds are renin inhibitors of a non- peptidic nature and of low molecular weight. The invention further relates to a pharmaceutical composition containing said compounds, as wel

Palladium-catalyzed chemoselective intramolecular cyclization of 2-bromoaryl alkenenitriles

The chemoselectivity in the palladium-catalyzed intramolecular cyclization of 2-(o-bromoaryl)alkenenitriles depends on the nature of α-substitutents. 2-(o-Bromoanilino)alkenenitriles attacked the cyano group, followed by the cyano group transposition and

Intramolecular palladium-catalyzed aryl amination and aryl amidation

Upon treatment with a palladium catalyst and a suitable base, aromatic halides undergo intramolecular substitution to form five, six, and seven-membered rings. In a similar fashion aryl halides with pendant amides or sulfonamides are cyclized to form five and six-membered rings.