35333-26-7

Basic information

• Product Name: 5-(4-BROMOPHENYL)-5-OXOVALERIC ACID
• Synonyms: 5-(4-BROMOPHENYL)-5-OXOVALERIC ACID;OTAVA-BB 1043539;UKRORGSYN-BB BBV-213517
• CAS NO: 35333-26-7
• Molecular Formula: C₁₁H₁₁BrO₃
• Molecular Weight: 271.11
• Mol File: 35333-26-7.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 442.323°C at 760 mmHg
• Flash Point: 221.309°C
• Appearance: /
• Density: 1.495g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.569
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-(4-BROMOPHENYL)-5-OXOVALERIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-BROMOPHENYL)-5-OXOVALERIC ACID(35333-26-7)
• EPA Substance Registry System: 5-(4-BROMOPHENYL)-5-OXOVALERIC ACID(35333-26-7)

Safety Data

• Hazardous Substances Data: 35333-26-7(Hazardous Substances Data)

Usage

General Description

5-(4-Bromophenyl)-5-oxovaleric acid is a chemical compound with the molecular formula C10H9BrO3. It is a derivative of valeric acid, containing a 4-bromophenyl group. 5-(4-BROMOPHENYL)-5-OXOVALERIC ACID is often used in research and development, particularly in studies related to organic synthesis, pharmaceuticals, and agrochemicals. It is known for its potential biological activities and therapeutic applications, making it a subject of interest for medicinal chemistry and drug discovery. Its structural features and functional groups make it a valuable building block for the synthesis of various bioactive molecules and pharmaceutical compounds.

InChI:InChI=1/C11H11BrO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)

Upstream product

• 108-55-4 glutaric anhydride, 
• 108-86-1 bromobenzene 
• 1501-26-4 methyl 4-(chlorocarbonyl)butyrate 
• 90991-23-4 5-(4-bromophenyl)-5-oxopentanoic acid methyl ester 
• 1501-27-5 Pentanedioic acid, monomethyl ester 
• 5205-39-0 ethyl glutaroyl chloride 
• 898792-67-1 5-(4-bromo-phenyl)-5-oxo-pentanoic acid ethyl ester 

Downstream Products

• 102769-18-6 3,4-dihydro-6(p-bromophenyl)-2-pyrone 
• 102769-20-0 5-(4-Bromo-phenyl)-5-oxo-pentanoyl chloride 
• 22647-95-6 5-(4-bromophenyl)pentanoic acid 
• 87779-78-0 3-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one 
• 229006-86-4 3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one 
• 229006-88-6 2-(4-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid 
• 274673-50-6 3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester 
• 350022-61-6 5-hydroxy-3-p-tolyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carboxylic acid methyl ester 
• 350022-60-5 5-oxo-3-p-tolyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carboxylic acid methyl ester 
• 229008-40-6 5-hydroxy-3-p-tolyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carboxylic acid 
• 229008-37-1 2-(4-(1-pyrrolidinyl)phenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid 
• 229008-36-0 3-(4-pyrrolidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester 
• 229007-64-1 3-(4-piperidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester 
• 229007-65-2 2-(4-piperidinophenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid 

Relevant articles and documents

Method for synthesizing 4-(4-fluorobenzoyl) butyric acid and analogues thereof in continuous flow microreactor

The invention relates to a method for synthesizing 4-(4-fluorobenzoyl) butyric acid and analogues thereof in a continuous flow microreactor, which comprises the following steps: (1) uniformly mixing a compound 1 and a compound 2 to obtain a homogeneous phase solution A; (2) uniformly mixing aluminum trichloride, a compound 1 and an organic solvent to obtain a homogeneous phase solution B; (3) diluting concentrated hydrochloric acid with water to prepare a solution C; and (4) transferring the homogeneous phase solution A and the homogeneous phase solution B into a first micro-reaction module for a Friedel-Crafts acylation reaction, after the reaction is finished, transferring the obtained reaction solution and the solution C into a second micro-reaction module for quenching reaction, and then performing liquid separation, washing and vacuum concentration to obtain a target compound 3; wherein the specific synthesis route is as follows. By adopting the method disclosed by the invention, the target product can be continuously and rapidly synthesized, aluminum trichloride is not needed for treatment, the reaction condition is mild, the reaction time is short, and the yield is high and reaches 90% or above.

Asymmetric hydrogenation reaction γ - or δ - ketonato compound (by machine translation)

The invention relates to the field, of organic chemistry, specifically γ - or δ - keto acid compound asymmetric hydrogenation reaction, reaction formula as follows : Wherein R is H,C. 1 - C6 An alkyl or halogen, is R 1 - 5 in number of substituents . wherein n is 1 or 2;Cat. is a chiral spiro pyrimidyl phosphine ligand iridium complex . and γ - or δ - keto acid compound is subjected to an internal esterification reaction to further prepare a lactone compound. (by machine translation)

Combined Photoredox/Enzymatic C?H Benzylic Hydroxylations

Chemical transformations that install heteroatoms into C?H bonds are of significant interest because they streamline the construction of value-added small molecules. Direct C?H oxyfunctionalization, or the one step conversion of a C?H bond to a C?O bond, could be a highly enabling transformation due to the prevalence of the resulting enantioenriched alcohols in pharmaceuticals and natural products,. Here we report a single-flask photoredox/enzymatic process for direct C?H hydroxylation that proceeds with broad reactivity, chemoselectivity and enantioselectivity. This unified strategy advances general photoredox and enzymatic catalysis synergy and enables chemoenzymatic processes for powerful and selective oxidative transformations.