49839-81-8

Basic information

• Product Name: 3-BROMOMANDELIC ACID
• Synonyms: 3-BROMOMANDELIC ACID;3-Bromo-alpha-hydroxybenzeneacetic acid;3-Bromo-a-hydroxy-benzeneacetic acid
• CAS NO: 49839-81-8
• Molecular Formula: C₈H₇BrO₃
• Molecular Weight: 231.04
• Mol File: 49839-81-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 119-121°C
• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: pK1: 3.13 (25°C)
• CAS DataBase Reference: 3-BROMOMANDELIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMOMANDELIC ACID(49839-81-8)
• EPA Substance Registry System: 3-BROMOMANDELIC ACID(49839-81-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 49839-81-8(Hazardous Substances Data)

Usage

General Description

3-Bromomandelic acid is a chemical compound with the molecular formula C8H7BrO3. It is a white crystalline solid that is soluble in water and organic solvents. 3-Bromomandelic acid is commonly used in the synthesis of pharmaceutical and agrochemical products, as well as in the production of dyes and pigments. It is also used as a chiral auxiliary in asymmetric synthesis reactions. The compound has been studied for its potential therapeutic applications, particularly in the treatment of neurological disorders. 3-Bromomandelic acid is known for its ability to form hydrogen bonds, making it a useful building block in organic chemistry reactions.

Upstream product

• 52944-27-1 (R,S)-2-hydroxy-2-(3-aminophenyl)acetic acid 
• 3132-99-8 m-bromobenzoic aldehyde 
• 7677-24-9 trimethylsilyl cyanide 
• 71412-88-9 2-(3-bromophenyl)-2-hydroxyacetonitrile 
• 2142-63-4 1-(3-Bromophenyl)ethanone 

Downstream Products

• 860771-95-5 (3-bromo-phenyl)-hydroxy-acetic acid methyl ester 
• 1071454-43-7 hydroxyl-{3-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-phenyl}acetic acid 
• 1071454-47-1 hydroxy-{3-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-acetic acid 
• 1071454-81-3 hydroxy-{3-[1-hydroxymethyl-3-(2-methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-acetic acid-1-ylmethyl ester 
• 88696-39-3 1H-benzimidazol-2-yl(3-bromophenyl)methanol 
• 1370428-08-2 2-[(3-bromophenyl)(1-methylpiperidin-4-yloxy)methyl]-1H-benzimidazole 
• 1370431-83-6 2-[(3-benzylsulfanylphenyl)(1-methylpiperidin-4-yloxy)methyl]-1H-benzimidazole 
• 1584127-57-0 methyl 2-acetoxy-2-(3-bromophenyl)acetate 
• 1418267-51-2 tert-butyl 2-acetoxy-2-(3-bromophenyl)acetate 
• 1418267-67-0 N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-( 4'-( trifluoromethoxy)biphenyl-3-yl)acetamide 
• 1418267-66-9 N-(1-am.inoisoquinolin-6-yl)-2-hydroxy-2-( 4'-( trifluoromethoxy)biphenyl-3-yl)acetamide 
• 1418267-26-1 N-(1-aminoisoquinolin-6-y1)-2-hydroxy-2-( 4'-(trifluoromethoxy) biphenyl-3-yl)acetamide 

Relevant articles and documents

Solid phase behavior in the chiral systems of various 2-hydroxy-2-phenylacetic acid (mandelic acid) derivatives

The solid phase behavior of a series of monosubstituted F-, Cl-, Br-, I-, and CH3- and two 2,4-halogen-disubstituted 2-hydroxy-2-phenylacetic acid (mandelic acid) derivatives was investigated. The study includes detailed information about melting temperature, melting enthalpy, X-ray diffraction data, as well as selected binary phase diagrams of the respective chiral systems. Aside from the known metastable conglomerate 2-chloromandelic acid, evidence for two more metastable conglomerates was found.

Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings

The structures of 27 monosubstituted mandelic acids, including several of their polymorphs, plus unsubstituted mandelic acid itself (two polymorphs) are investigated for structural similarity. The results, presented pictorially as a structural relationship plot, show that rather more structures are built up from the carboxyl-chain hydroxyl hydrogen bonded dimer than from the conventional carboxylic acid dimer. The results show how all the structures are related and, based on the two types of dimer, the degree of similarity that they possess. Some structures with Z′ > 1 contain both sorts of dimers and there are many examples of isostructural sets within the structures so far determined. We also present an example where analysing similarity in related families of structures highlights a structure that should be present and which has indeed then proceeded to be synthesised and determined.

Benzazole derivatives as histamine H4 receptor ligands

The present patent application concerns new ligands of the H4-receptor of formula (I), their process of preparation and their therapeutic use.