16503-46-1

Basic information

• Product Name: 2-bromo-4-phenylbutyric acid
• Synonyms: 2-bromo-4-phenylbutyric acid;2-bromo-4-phenylbutanoic acid;α-Bromobenzenebutanoic acid;Einecs 240-568-9;benzyl 3-broMopropanoate
• CAS NO: 16503-46-1
• Molecular Formula: C₁₀H₁₁BrO₂
• Molecular Weight: 243.09714
• EINECS: 240-568-9
• Mol File: 16503-46-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 315.7 °C at 760 mmHg
• Flash Point: 144.7 °C
• Appearance: /
• Density: 1.487 g/cm³
• Vapor Pressure: 0.000181mmHg at 25°C
• Refractive Index: 1.579
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-bromo-4-phenylbutyric acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-bromo-4-phenylbutyric acid(16503-46-1)
• EPA Substance Registry System: 2-bromo-4-phenylbutyric acid(16503-46-1)

Safety Data

• Hazardous Substances Data: 16503-46-1(Hazardous Substances Data)

Usage

General Description

2-bromo-4-phenylbutyric acid is a chemical compound with the molecular formula C10H11BrO2. It is an organic compound containing a bromine atom and a phenyl group, and is commonly used in the synthesis of pharmaceuticals and agrochemicals. 2-bromo-4-phenylbutyric acid has a wide range of applications, including as an intermediate in the production of various organic compounds, and as a building block for the synthesis of new materials. It is also known for its potential antiviral and antimicrobial properties, making it of interest for further research and development in the pharmaceutical industry. Additionally, 2-bromo-4-phenylbutyric acid has shown potential as a chiral building block for the synthesis of complex natural and non-natural products, making it an important compound in the field of organic chemistry.

InChI:InChI=1/C10H11BrO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)

Upstream product

• 103-63-9 1-phenyl-2-bromoethane 
• 6628-68-8 ethyl 2-(ethoxycarbonyl)-4-phenylbutanoate 
• 3709-21-5 2-phenylethylmalonic acid 
• 1821-12-1 4-Phenylbutyric acid 
• 1012-05-1 D,L-homophenylalanine 
• 959055-65-3 bromo-phenethyl-malonic acid 

Downstream Products

• 82586-61-6 ethyl 2-bromo-4-phenylbutanoate 
• 80162-28-3 2-(methylamino)-4-phenylbutanoic acid 
• 205748-21-6 (R,S)-4-Phenyl-2-bromobutanoic acid (R)-pantolactone ester 
• 89460-20-8 tert-butyl (4S)-1-methyl-3-{(2S)-2-[N-((1S)-1-benzyloxycarbonyl-3-phenylpropyl)amino]propionyl}-2-oxo-imidazolidine-4-carboxylate 
• 90891-21-7 L-(+)-α-amino-4-phenylbutyric acid ethyl ester hydrochloride 
• 117560-10-8 (S)-3-[(S)-2-((S)-1-Carboxy-3-phenyl-propylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid 
• 89371-87-9 (4S)-1-n-butyl-3-{(2S)-2-[N-((1S)-1-carboxy-3-phenylpropyl)amino]propionyl}-2-oxo-imidazolidine-4-carboxylic acid 
• 89371-48-2 (4S)-1-benzyl-3-<(2S)-2-amino>propionyl>-2-oxoimidazolidine-4-carboxylic acid 
• 89371-47-1 benzyl (4S)-1-benzyl-3-{(2S)-2-[N-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino]propionyl}-2-oxo-imidazolidine-4-carboxylate 
• 89371-86-8 benzyl (4S)-1-n-butyl-3-{(2S)-2-[N-((1S)-1-benzyloxycarbonyl-3-phenylpropyl)amino]propionyl}-2-oxo-imidazolidine-4-carboxylate 
• 117560-15-3 (S)-2-((S)-1-tert-Butoxycarbonyl-ethylamino)-4-phenyl-butyric acid benzyl ester; compound with (Z)-but-2-enedioic acid 
• 117560-18-6 (S)-3-[(S)-2-((S)-1-Benzyloxycarbonyl-3-phenyl-propylamino)-propionyl]-2-oxo-imidazolidine-1,4-dicarboxylic acid 1-benzyl ester 4-tert-butyl ester; compound with (Z)-but-2-enedioic acid 
• 117605-19-3 (4S)-3-<(2R)-2-amino>propionyl>-1-methyl-2-oxoimidazolidine-4-carboxylic acid 
• 117560-17-5 (S)-3-[(S)-2-((S)-1-Benzyloxycarbonyl-3-phenyl-propylamino)-propionyl]-2-oxo-imidazolidine-1,4-dicarboxylic acid 1-benzyl ester 4-tert-butyl ester 

Relevant articles and documents

Enantioconvergent Cu-Catalyzed Radical C-N Coupling of Racemic Secondary Alkyl Halides to Access α-Chiral Primary Amines

α-Chiral alkyl primary amines are virtually universal synthetic precursors for all other α-chiral N-containing compounds ubiquitous in biological, pharmaceutical, and material sciences. The enantioselective amination of common alkyl halides with ammonia is appealing for potential rapid access to α-chiral primary amines, but has hitherto remained rare due to the multifaceted difficulties in using ammonia and the underdeveloped C(sp3)-N coupling. Here we demonstrate sulfoximines as excellent ammonia surrogates for enantioconvergent radical C-N coupling with diverse racemic secondary alkyl halides (>60 examples) by copper catalysis under mild thermal conditions. The reaction efficiently provides highly enantioenrichedN-alkyl sulfoximines (up to 99% yield and >99% ee) featuring secondary benzyl, propargyl, α-carbonyl alkyl, and α-cyano alkyl stereocenters. In addition, we have converted the masked α-chiral primary amines thus obtained to various synthetic building blocks, ligands, and drugs possessing α-chiral N-functionalities, such as carbamate, carboxylamide, secondary and tertiary amine, and oxazoline, with commonly seen α-substitution patterns. These results shine light on the potential of enantioconvergent radical cross-coupling as a general chiral carbon-heteroatom formation strategy.

Mercaptoacyl matrix metalloproteinase inhibitors: The effect of substitution at the mercaptoacyl moiety

The in vitro potency of orally-active mercaptoacyl matrix metalloproteinase inhibitors is increased by the introduction of appropriate substitutents on the mercaptoacyl moiety.