1-Penten-3-one, 5-(methylsulfonyl)-1-phenyl-, (E)-

Base Information

Chemical Name:1-Penten-3-one, 5-(methylsulfonyl)-1-phenyl-, (E)-
CAS No.:84175-49-5
Molecular Formula:C₁₂H₁₄O₃S
Molecular Weight:238.307
Hs Code.:
ChEMBL ID:CHEMBL136972
DSSTox Substance ID:DTXSID201229679

Synonyms:CHEMBL136972;DTXSID201229679;1-Penten-3-one, 5-(methylsulfonyl)-1-phenyl-, (E)-;84175-49-5

Suppliers and Price of 1-Penten-3-one, 5-(methylsulfonyl)-1-phenyl-, (E)-

Supply Marketing:

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

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Chemical Property of 1-Penten-3-one, 5-(methylsulfonyl)-1-phenyl-, (E)-

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:238.06636548
Heavy Atom Count:16
Complexity:343

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)(=O)CCC(=O)C=CC1=CC=CC=C1
Isomeric SMILES:CS(=O)(=O)CCC(=O)/C=C/C1=CC=CC=C1

Technology Process of 1-Penten-3-one, 5-(methylsulfonyl)-1-phenyl-, (E)-

There total 2 articles about 1-Penten-3-one, 5-(methylsulfonyl)-1-phenyl-, (E)- 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: 75.0%

: 84175-46-2
(E)-5-(methylsulfinyl)-1-phenyl-1-penten-3-one

: 84175-49-5
(E)-5-(methylsulfonyl)-1-phenyl-1-penten-3-one

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 0.5h;
DOI:10.1021/jm00357a020

Reference yield:

: 84175-29-1
(E)-5-(methylthio)-1-phenylpent-1-en-3-one

: 84175-49-5
(E)-5-(methylsulfonyl)-1-phenyl-1-penten-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 10 percent / NaIO₄ / ethanol / 18 h / Ambient temperature

2: 75 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 0.5 h

With sodium periodate; 3-chloro-benzenecarboperoxoic acid; In ethanol; dichloromethane;
DOI:10.1021/jm00357a020