Ethyl (2S)-2-acetyl-2-methyl-5-oxohexanoate

Base Information

Chemical Name:Ethyl (2S)-2-acetyl-2-methyl-5-oxohexanoate
CAS No.:78044-62-9
Molecular Formula:C11H18O4
Molecular Weight:214.262
Hs Code.:
DSSTox Substance ID:DTXSID40505140
Wikidata:Q82360058

Synonyms:78044-62-9;Ethyl (2S)-2-acetyl-2-methyl-5-oxohexanoate;DTXSID40505140

Suppliers and Price of Ethyl (2S)-2-acetyl-2-methyl-5-oxohexanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Ethyl (2S)-2-acetyl-2-methyl-5-oxohexanoate

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:214.12050905
Heavy Atom Count:15
Complexity:270

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C)(CCC(=O)C)C(=O)C
Isomeric SMILES:CCOC(=O)[C@@](C)(CCC(=O)C)C(=O)C

Technology Process of Ethyl (2S)-2-acetyl-2-methyl-5-oxohexanoate

There total 3 articles about Ethyl (2S)-2-acetyl-2-methyl-5-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: 60.0%

: 78044-61-8,78044-68-5
ethyl (S)-2-acetyl-5-chloro-2-methyl-4-hexenoate

: 78044-64-1
(S)-2-Acetyl-2-methyl-4-oxo-hexanoic acid ethyl ester

: 78044-62-9
ethyl (S)-2-acetyl-2-methyl-5-oxohexanoate

: 78044-63-0
(S)-(+)-ethyl 1,4-dimethyl-2-oxo-3-cyclohexenecarboxylate

: 116831-04-0
(R)-2-acetyl-2-methyl-5-oxohexanoic acid ethyl ester

Guidance literature:: With mercury(II) trifluoroacetate; In nitromethane; for 45h; Yield given. Title compound not separated from byproducts; Ambient temperature;
DOI:10.1016/S0040-4020(01)82413-3

Reference yield: 60.0%

: 78044-60-7,78044-67-4
ethyl (2S)-5-chloro-2((S)-1-hydroxyethyl)-2-methyl-4-hexenoate

: 78044-64-1
(S)-2-Acetyl-2-methyl-4-oxo-hexanoic acid ethyl ester

: 78044-62-9
ethyl (S)-2-acetyl-2-methyl-5-oxohexanoate

: 78044-63-0
(S)-(+)-ethyl 1,4-dimethyl-2-oxo-3-cyclohexenecarboxylate

Guidance literature:: With potassium dichromate; sulfuric acid; mercury(II) trifluoroacetate; Yield given. Multistep reaction; 1.) oxidation, 2.) nitromethane, 20 deg C, 45 h;
DOI:10.1016/0040-4039(81)80116-5