Hexanoic acid, 2-bromoethyl ester

Base Information

• Chemical Name: Hexanoic acid, 2-bromoethyl ester
• CAS No.: 6282-52-6
• Molecular Formula: C8H15BrO2
• Molecular Weight: 223.11
• NSC Number: 6984
• DSSTox Substance ID: DTXSID00211932
• Nikkaji Number: J329.196K
• Wikidata: Q83086940
• Mol file: 6282-52-6.mol

Synonyms:2-Bromoethyl hexanoate;HEXANOIC ACID, 2-BROMOETHYL ESTER;6282-52-6;BRN 1756784;AI3-19988;SCHEMBL11791792;DTXSID00211932;NSC6984;AHELICBDMBDYSN-UHFFFAOYSA-N;Hexanoic acid (2-bromoethyl) ester;NSC 6984;NSC-6984;LS-75205;EN300-1478581

Chemical Property of Hexanoic acid, 2-bromoethyl ester

Chemical Property:

• Vapor Pressure: 0.0312mmHg at 25°C
• Boiling Point: 244°C at 760 mmHg
• Flash Point: 122.6°C
• Density: 1.258g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 222.02554
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCCBr

Technology Process of Hexanoic acid, 2-bromoethyl ester

There total 7 articles about Hexanoic acid, 2-bromoethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

2-pentyl-1,3-dioxolane (3515-94-4) → 2-bromoethyl hexanoate (6282-52-6) + 2-(1-Bromo-pentyl)-[1,3]dioxolane

Guidance literature:

With chloro-trimethyl-silane; bromine; sodium bromide; In ethylene glycol; acetonitrile; at 40 ℃; for 1h;

Reference yield: 78.0%

hexanoic acid (142-62-1) + 2-bromoethanol (540-51-2) → 2-bromoethyl hexanoate (6282-52-6)

Guidance literature:

With sulfuric acid; In benzene;

DOI:10.1135/cccc19842819

Reference yield:

ethylene glycol (107-21-1) + hexanal (66-25-1) → 2-bromoethyl hexanoate (6282-52-6) + 2-(1-Bromo-pentyl)-[1,3]dioxolane

Guidance literature:

With pyridinium hydrobromide perbromide; orthoformic acid triethyl ester; In 1,2-dichloro-ethane; at 50 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1016/j.tetlet.2005.01.159

upstream raw materials:

n-octanoic acid chloride

2-bromoethanol

hexanoic acid

n-hexanoic anhydride

Downstream raw materials:

hexanoic acid