Methyl 4-(benzenesulfonyl)-3-oxobutanoate

Base Information

Chemical Name:Methyl 4-(benzenesulfonyl)-3-oxobutanoate
CAS No.:92780-87-5
Molecular Formula:C11H12O5S
Molecular Weight:256.279
Hs Code.:
DSSTox Substance ID:DTXSID20537166
Nikkaji Number:J2.648.811G
Wikidata:Q82412064

Synonyms:92780-87-5;methyl 4-(benzenesulfonyl)-3-oxobutanoate;DTXSID20537166

Suppliers and Price of Methyl 4-(benzenesulfonyl)-3-oxobutanoate

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 Methyl 4-(benzenesulfonyl)-3-oxobutanoate

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:256.04054465
Heavy Atom Count:17
Complexity:373

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CC(=O)CS(=O)(=O)C1=CC=CC=C1

Technology Process of Methyl 4-(benzenesulfonyl)-3-oxobutanoate

There total 1 articles about Methyl 4-(benzenesulfonyl)-3-oxobutanoate 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: 61.0%

: 74590-73-1,81114-98-9,67609-52-3
1,3-bis(trimethylsiloxy)-1-methoxybuta-1,3-diene

: 98-09-9
benzenesulfonyl chloride

: 92780-87-5
methyl 3-oxo-4-(phenylsulfonyl)butanoate

Guidance literature:: In dichloromethane; at -78 - 20 ℃; for 14h; regioselective reaction; Inert atmosphere;
DOI:10.1039/b810151e

Reference yield:

: 92780-87-5
methyl 3-oxo-4-(phenylsulfonyl)butanoate

: 3976-69-0
Methyl (R)-3-hydroxybutyrate

Guidance literature:: Multi-step reaction with 2 steps

1: bakers' yeast / ethanol; H₂O / 48 h / 30 °C

2: Raney Ni W-4

With bakers' yeast; Raney Ni W-4; In ethanol; water;
DOI:10.1016/0040-4039(84)80045-3