732248-41-8

Basic information

• Product Name: 5-BROMO-5-HEXENOIC ACID
• Synonyms: 5-BROMO-5-HEXENOIC ACID
• CAS NO: 732248-41-8
• Molecular Formula: C6H9BrO2
• Molecular Weight: 193.04
• Mol File: 732248-41-8.mol

Chemical Properties

• Boiling Point: 267.956°C at 760 mmHg
• Flash Point: 115.856°C
• Appearance: /
• Density: 1.482g/cm³
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.506
• PKA: 4.75±0.10(Predicted)
• CAS DataBase Reference: 5-BROMO-5-HEXENOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-5-HEXENOIC ACID(732248-41-8)
• EPA Substance Registry System: 5-BROMO-5-HEXENOIC ACID(732248-41-8)

Safety Data

• Hazardous Substances Data: 732248-41-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H9BrO2/c1-5(7)3-2-4-6(8)9/h1-4H2,(H,8,9)

Upstream product

• 124-38-9 carbon dioxide 
• 925-90-6 ethylmagnesium bromide 
• 513-31-5 2-bromoallyl bromide 
• 53293-00-8 hex-5-ynoic acid 

Relevant articles and documents

HBr–DMPU: The First Aprotic Organic Solution of Hydrogen Bromide

HBr and DMPU (1,3-dimethyl-3,4,5,6-tetrahydro-2-pyrimidinone) form a room-temperature-stable complex that provides a mild, effective, and selective hydrobrominating reagent toward alkynes, alkenes, and allenes. HBr–DMPU could also replace other halogenating reagents in the halo-Prins reaction, ether cleavage, and deoxy-bromination reactions.

Cp2ZrCl2-mediated three-component coupling reactions of CO2, ethylene (or alkynes), and electrophiles leading to carboxylic acid derivatives

Zirconacycles 1 and 2 can be simply generated from Cp2ZrCl 2, EtMgBr, and an atmospheric pressure of CO2. The treatment of Cp2ZrCl2 with EtMgBr followed by exposure to CO2 generates zirconacycle 1, which can react with various electrophiles to give a variety of carboxylic acid derivatives. Unsaturated zirconacycles 2 can also generated from Cp2ZrCl2, EtMgBr, alkynes, and CO2. Complexes 2 react with electrophiles to give α,β-unsaturated acids stereoselectively.