5798-81-2

Basic information

• Product Name: 3-Bromo-2-butanol acetate
• Synonyms: 3-Bromo-2-butanol acetate
• CAS NO: 5798-81-2
• Molecular Formula: C₆H₁₁BrO₂
• Molecular Weight: 195.0543
• Mol File: 5798-81-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 190.9°Cat760mmHg
• Flash Point: 95.7°C
• Appearance: /
• Density: 1.345g/cm³
• Vapor Pressure: 0.529mmHg at 25°C
• Refractive Index: 1.454
• CAS DataBase Reference: 3-Bromo-2-butanol acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-2-butanol acetate(5798-81-2)
• EPA Substance Registry System: 3-Bromo-2-butanol acetate(5798-81-2)

Safety Data

• Hazardous Substances Data: 5798-81-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H11BrO2/c1-4(7)5(2)9-6(3)8/h4-5H,1-3H3

Upstream product

• 506-96-7 Acetyl bromide 
• 5660-61-7 (R,R) and (S,S)-2,2,4,5-tetramethyl-1,3-dioxolane 
• 6982-25-8 d,l-2,3-butanediol 
• 64-19-7 acetic acid 

Downstream Products

• 590-18-1 (Z)-2-Butene 
• 624-64-6 trans-2-Butene 
• 598-71-0 DL-2,3-dibromobutane 

Relevant articles and documents

Preparation of the four stereoisomers of 3-bromo-2-butanol or their acetates via lipase-catalysed resolutions of the racemates derived from dl- or meso-2,3-butanediol

The four stereoisomeric 3-bromo-2-butanols and/or their acetates were prepared via lipase-catalysed kinetic resolution by hydrolyses of the acetates of the (±)-syn- and (±)-anti-3-bromo-2-butanols, or via esterifications of the alcohols. The diastereomeric bromoacetates were obtained by syntheses from the dl- and meso-2,3-butanediols, respectively. On a preparative scale, the four stereoisomers, either as the free alcohols or as their acetates, were obtained in >95% ee, and in 35-40% yield (based on the starting racemates).