913835-73-1

Basic information

• Product Name: 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97
• Synonyms: 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97;3-BROMO-5-CARBOXYBENZENEBORONIC ACID;3-BROMO-5-CARBOXYPHENYLBORONIC ACID;3-Bromo-5-carboxybenzeneboronic acid 97%;3-Borono-5-bromobenzoic acid;5-Bromo-3-carboxyphenylboronic acid;Benzoic acid, 3-borono-5-broMo-;5-Bromo-3-carboxyphenylboronic acid >=95%
• CAS NO: 913835-73-1
• Molecular Formula: C₇H₆BBrO₄
• Molecular Weight: 244.83514
• Product Categories: blocks;BoronicAcids;Carboxes;Aryl Boronic Acids;Boronic Acids;Boronic Acids and Derivatives;Chemical Synthesis;Disubstituted Aryl Boronic Acids;Organometallic Reagents
• Mol File: 913835-73-1.mol
• Article Data: 1

Chemical Properties

• Melting Point: 290-292
• Boiling Point: 480.728 °C at 760 mmHg
• Flash Point: 244.536 °C
• Appearance: /
• Density: 1.869 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.641
• Storage Temp.: Keep Cold
• PKA: 3.82±0.10(Predicted)
• CAS DataBase Reference: 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97(913835-73-1)
• EPA Substance Registry System: 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97(913835-73-1)

Safety Data

• Hazard Codes: Xi
• WGK Germany: 3
• Hazardous Substances Data: 913835-73-1(Hazardous Substances Data)

Usage

General Description

3-Bromo-5-carboxybenzeneboronic acid 97 is a chemical compound with the molecular formula C7H6BBrO4. It is a boronic acid derivative that is commonly used in organic synthesis and pharmaceutical research. 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97 is known for its ability to react with a wide range of electrophiles, making it a valuable building block for the synthesis of various biologically active molecules. It is also utilized in the development of boron-containing materials and chemical sensors. The "97" designation in the name suggests that this compound is of high purity, with a minimum assay of 97%. Overall, 3-Bromo-5-carboxybenzeneboronic acid 97 is a versatile chemical with applications in both research and industrial settings.

InChI:InChI=1/C7H6BBrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)

Upstream product

• 626-39-1 1,3,5-trisbromobenzene 
• 124-38-9 carbon dioxide 

Downstream Products

• 913835-87-7 (3-bromo-5-(methoxycarbonyl)phenyl)boronic acid 
• 1622235-95-3 (2S,3R)-3-(3-carboxy-5-(2-oxo-1,2-dihydropyrimidin-5-yl)phenyl)pyrrolidin-2-carboxylic acid hydrochloride 
• 1622235-94-2 (2S,3R)-3-(3-carboxy-5-(pyrimidin-5-yl)phenyl)pyrrolidine-2-carboxylic acid hydrochloride 
• 1622235-91-9 (2S,3R)-3-(3-carboxy-5-(pyridin-4-yl)phenyl)pyrrolidine-2-carboxylic acid hydrochloride 
• 1622235-92-0 (2S,3R)-3-(3-carboxy-5-(pyridin-3-yl)phenyl)pyrrolidine-2-carboxylic acid hydrochloride 
• 1622235-93-1 (2S,3R)-3-(3-carboxy-5-(pyridin-2-yl)phenyl)pyrrolidine-2-carboxylic acid hydrochloride 
• 1025718-78-8 methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 

Relevant articles and documents

One-pot generation of lithium (lithiophenyl)trialkoxyborates from substituted dihalobenzenes (Hal = Br, I) and their derivatization with electrophiles

The simple one-pot approach to synthetically useful phenyltrialkoxyborates bearing lithium at the phenyl ring has been developed starting with 1,3- and 1,4-diiodobenzene, as well as several activated dibromobenzenes and bromoiodobenzenes. The general sequence of transformations involves halogen-lithium exchange by using nBuLi and subsequent boronation with a trialkylborate. The resulting lithium (halophenyl) trialkoxyborates were then subjected to halogen-lithium exchange in situ with a second equivalent of nBuLi to give dianionic lithium (lithiophenyl)trialkoxyborates. Treatment with selected electrophiles afforded substituted arylboronic acids and/or their pinacol esters as final products in moderate-to-good yields. Wiley-VCH Verlag GmbH & Co. KGaA, 2008.