38712-59-3

Basic information

• Product Name: 3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID
• Synonyms: 3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID
• CAS NO: 38712-59-3
• Molecular Formula: C₉H₇BrO₃
• Molecular Weight: 243.05
• Mol File: 38712-59-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 361.8°C at 760 mmHg
• Flash Point: 172.6°C
• Appearance: /
• Density: 1.656g/cm³
• Vapor Pressure: 7.24E-06mmHg at 25°C
• Refractive Index: 1.593
• CAS DataBase Reference: 3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID(38712-59-3)
• EPA Substance Registry System: 3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID(38712-59-3)

Safety Data

• Hazardous Substances Data: 38712-59-3(Hazardous Substances Data)

Usage

Description

3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID, also known as bromoacetoacetate, is a chemical compound with the molecular formula C9H7BrO3. It is a derivative of acetoacetic acid and contains a bromine atom attached to a phenyl ring. 3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID is often used as a building block in organic synthesis and pharmaceutical research.

Uses

Used in Organic Synthesis:
3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID is used as a building block for the synthesis of various organic compounds. Its unique structure allows for the formation of new chemical bonds and the creation of a wide range of molecules with different properties and applications.
Used in Pharmaceutical Research:
3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID is used as a key intermediate in the development of new pharmaceuticals. Its presence in the molecular structure can impart specific biological activities, making it a valuable component in the design and synthesis of potential drug candidates.
It is important to handle and store 3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID with care, as it can be hazardous if not handled properly. Proper safety measures should be taken to minimize any risks associated with its use.

InChI:InChI=1/C9H7BrO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13)

Upstream product

• 104997-51-5 3-(4-bromo-phenyl)-3-cyano-2-oxo-propionic acid ethyl ester 
• 58070-07-8 2-[(4-Bromo-phenyl)-chloro-methyl]-2-hydroxy-malonic acid 
• 16532-79-9 4-Bromophenylacetonitrile 
• 1122-91-4 4-bromo-benzaldehyde 
• 1431505-86-0 (E/Z)-methyl 3-(4-bromophenyl)-2-dimethylaminoacrylate 
• 461-72-3 2,4-imidazolidinedione 
• 1273258-11-9 (Z)-4-(4-bromobenzylidene)-2-methyloxazol-5(4H)-one 

Downstream Products

• 22900-98-7 3-(4-bromo-phenyl)-2-(4-oxo-2-thioxo-thiazolidin-5-ylidene)-propionic acid 
• 1141478-88-7 3-(4-bromophenyl)-2-hydroxypropionic acid 
• 2166118-09-6 C₁₀H₁₁BrO₃ 
• 1141478-88-7 (2R)-3-(4-bromophenyl)-2-hydroxypropanoic acid 
• 1567951-53-4 C₁₈H₁₄BrNO₃ 
• 128779-47-5 (2R)-3-(biphenyl-4-yl)-2-[(tert-butoxycarbonyl)amino]propanoic acid 
• 79561-82-3 (2R)-3-(4-bromophenyl)-2-[[(tert-butoxy)carbonyl]amino]propanoic acid 
• 62561-74-4 (2R)-2-amino-3-(4-bromophenyl)propanoic acid 
• 24250-84-8 H-p-BrPhe-OH 

Relevant articles and documents

Compounds serving as BACE1 inhibitors and application thereof

The invention belongs to the field of medical chemistry and relates to compounds serving as BACE1 inhibitors and application of the compounds. Specifically, the invention provides the compounds as shown in a formula I which is described in the specification or isomers, pharmaceutically acceptable salts, solvates, crystals or prodrugs thereof, a preparation method of the compounds, pharmaceutical compositions containing the compounds and application of the compounds or the compositions to treatment and/or prevention of BACE1 related diseases, such as Alzheimer's disease, Huntington's disease, Down's syndrome, beta-like amyloid vascular disease and the like. The compounds provided by the invention show very good inhibitory activity on hBACE1 enzyme, has lower inhibitory activity on hCathepsin D enzyme, is high in selectivity, and is very expected to become a therapeutic agent for BACE1 related diseases and with higher curative effect and smaller side effects.

Enantioselective reduction of 3-aryl-2-oxo-propanoic acids: A comparison of enzymatic and transition-metal-catalyzed methods

Phenyllactic acids are important constituents of depsipeptides, which are a large class of natural products expressing a wide range of biological activities. Despite there being several methods for the enantioselective synthesis of α-hydroxy acids, almost no studies are available addressing the substrate selectivity of transition-metal and enzyme-catalyzed methods for the preparation of substituted phenyllactic or more general aryllactic acids. We report herein comparative results for Rh-DiPAMP (DiPAMP = 1,2-ethandiylbis[(o- methoxyphenyl)phenylphosphane]) and lactate dehydrogenase catalyzed enantioselective reductions of several 3-aryl-2-oxopropanoic acids. Phenyllactic acids are important constituents of depsipeptides, which are a large class of natural products expressing a wide range of biological activities. A comparative study of transition-metal and lactate dehydrogenase catalyzed enantioselective reductions of several 3-aryl-2-oxopropanoic acids as valuable sources for enantiomerically pure phenyllactic acids is described. Copyright