Butanoic acid, 3-oxo-4-(phenylsulfonyl)-, ethyl ester

Base Information

Chemical Name:Butanoic acid, 3-oxo-4-(phenylsulfonyl)-, ethyl ester
CAS No.:97138-17-5
Molecular Formula:C12H14O5S
Molecular Weight:270.306
Hs Code.:
DSSTox Substance ID:DTXSID30550427
Wikidata:Q82429789

Synonyms:97138-17-5;Butanoic acid, 3-oxo-4-(phenylsulfonyl)-, ethyl ester;ethyl 3-oxo-4-(phenylsulfonyl)butanoate;Ethyl 4-(benzenesulfonyl)-3-oxobutanoate;SCHEMBL4731443;DTXSID30550427;AKOS013968005

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

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Chemical Property of Butanoic acid, 3-oxo-4-(phenylsulfonyl)-, ethyl ester

Chemical Property:

PSA：85.89000
LogP:2.06340
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:270.05619472
Heavy Atom Count:18
Complexity:387

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Butanoic acid, 3-oxo-4-(phenylsulfonyl)-, ethyl ester

There total 2 articles about Butanoic acid, 3-oxo-4-(phenylsulfonyl)-, ethyl 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: 74.0%

: 638-07-3
ethyl (2-chloroaceto)acetate

: 873-55-2
sodium benzenesulfonate

: 97138-17-5
ethyl 3-oxo-4-(phenylsulfonyl)butanoate

Guidance literature:: With potassium iodide; In ethanol; at 20 ℃; for 1.5h;
DOI:10.1021/jo201822k

Reference yield:

: 25907-38-4
ethyl 4-(phenylthio)-acetoacetate

: 97138-17-5
ethyl 3-oxo-4-(phenylsulfonyl)butanoate

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid;

Reference yield: 80.0%

: 104-88-1
4-chlorobenzaldehyde

: 97138-17-5
ethyl 3-oxo-4-(phenylsulfonyl)butanoate

: cis-diethyl 2-(4-chlorophenyl)-4-hydroxy-5-(phenylsulfonyl)-6-[(phenylsulfonyl)methyl]-3,6-cyclohexadiene-1,3-dicarboxylate

Guidance literature:: With ammonium acetate; In ethanol; at 20 - 60 ℃; for 72.0833h; diastereoselective reaction;
DOI:10.1016/j.tetlet.2012.05.071