70288-61-8

Basic information

• Product Name: METHYL 2-BROMOHEXANOATE
• Synonyms: METHYL ALPHA-BROMO HEXANOATE;2-BROMOHEXANOIC ACID METHYL ESTER;ALPHA-BROMOHEXANOIC ACID METHYL ESTER;Einecs 226-643-9;Hexanoic acid, 2-bromo-, methyl ester
• CAS NO: 70288-61-8
• Molecular Formula: C₇H₁₃BrO₂
• Molecular Weight: 209.08
• EINECS: 226-643-9
• Mol File: 70288-61-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 195.9°C at 760 mmHg
• Flash Point: 80.6°C
• Appearance: /
• Density: 1.289 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.411mmHg at 25°C
• Refractive Index: n20/D 1.455
• CAS DataBase Reference: METHYL 2-BROMOHEXANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-BROMOHEXANOATE(70288-61-8)
• EPA Substance Registry System: METHYL 2-BROMOHEXANOATE(70288-61-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 19
• Hazardous Substances Data: 70288-61-8(Hazardous Substances Data)

Usage

General Description

Methyl 2-bromohexanoate is a chemical compound with the molecular formula C7H13BrO2. It is a clear, colorless liquid with a fruity odor. METHYL 2-BROMOHEXANOATE is often used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It is a derivative of hexanoic acid, which is commonly used in the production of flavoring agents and fragrances. Methyl 2-bromohexanoate is also known for its use as a reagent in organic synthesis and as a building block for the creation of more complex chemical compounds. Due to its potential hazards, it is important to handle and store this compound with appropriate safety measures.

InChI:InChI=1/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 91423-84-6 (2S)-2-bromohexanoic acid 
• 186581-53-3 diazomethane 
• 616-05-7 2-bromohexanoic acid 
• 931382-06-8 C₇H₁₁BrO₂ 
• 931382-07-9 C₇H₁₁BrO₂ 
• 13894-63-8 methyl (E)-hex-2-enoate 
• 5445-19-2 methyl 2-bromohexanoate 

Relevant articles and documents

GC separation of enantiomers of alkyl esters of 2-bromo substituted carboxylic acids enantiomers on 6-tbdms-2,3-di-alkyl- β- And γ-cyclodextrin stationary phases

The gas chromatographic separation of enantiomers of 2-Br carboxylic acid derivatives was studied on four different 6-TBDMS-2,3-di-O-alkyl- β- and -γ-CD stationary phases. The differences in thermodynamic data {ΔH and -ΔS} for the 15 structurally related

Enantioselective synthesis of α-bromo acid derivatives and bromohydrins from tartrate derived bromoacetals

Bromination of the acetals 4 derived from aryl alkyl ketones, ArCOR, and (2R,3R)-tartaric acid results in bromoacetals 5 with 78-90% de. Hydrolysis of those compounds with Ar = 4-methoxyphenyl or 3-bromo-4-methoxyphenyl results, after recrystallisation, in α-bromoketones 8 with 66-98% ee which are shown to undergo the Baeyer-Villiger oxidation to α-bromoesters 9 with minimal racemisation, α-Bromoketone 8d is shown to undergo carbonyl reduction to threo-bromohydrin 15 with retention of stereochemistry.