Methyl 2-ethyl-3-oxohexanoate

Base Information

• Chemical Name: Methyl 2-ethyl-3-oxohexanoate
• CAS No.: 68039-27-0
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• European Community (EC) Number: 268-245-8
• DSSTox Substance ID: DTXSID70887103
• Nikkaji Number: J288.954D
• Mol file: 68039-27-0.mol

Synonyms:Methyl 2-ethyl-3-oxohexanoate;68039-27-0;2-Ethyl-3-oxohexanoic acid, methyl ester;Hexanoic acid, 2-ethyl-3-oxo-, methyl ester;EINECS 268-245-8;dodecyl hydrogen sulfate- 1-[bis(2-hydroxypropyl)amino]propan-1-ol(1:1);Methyl2-ethyl-3-oxohexanoate;SCHEMBL11031757;DTXSID70887103;AKOS010951817;2-Ethyl-3-oxohexanoic acid methyl ester;CS-0233262;EN300-132158;Z839827806

Chemical Property of Methyl 2-ethyl-3-oxohexanoate

Chemical Property:

• Vapor Pressure: 0.167mmHg at 25°C
• Boiling Point: 213.2°Cat760mmHg
• Flash Point: 82.4°C
• PSA: 43.37000
• Density: 0.967g/cm³
• LogP: 1.55480
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

METHYL 2-ETHYL-3-OXOHEXANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C(CC)C(=O)OC

Technology Process of Methyl 2-ethyl-3-oxohexanoate

There total 5 articles about Methyl 2-ethyl-3-oxohexanoate 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:

butanoic acid methyl ester (623-42-7) + sodium methylate (124-41-4) → methyl 2-ethyl-3-oxohexanoate (68039-27-0)

Guidance literature:

at 125 ℃; unter Abdestillieren des freigesetzten Methanols;

DOI:10.1021/ja01182a016

Reference yield:

ethyl butyroyl acetate (3249-68-1) → methyl 2-ethyl-3-oxohexanoate (68039-27-0)

Guidance literature:

With methanol; sodium methylate; anschliessend mit Aethyljodid;

DOI:10.1002/hlca.19530360625

Reference yield:

Methyl 2-bromobutyrate (3196-15-4,69043-96-5) + butanoic acid methyl ester (623-42-7) → methyl 2-ethyl-3-oxohexanoate (68039-27-0)

Guidance literature:

With magnesium;

upstream raw materials:

benzoic acid methyl ester

butanoic acid methyl ester

sodium methylate

Methyl 2-bromobutyrate