2-Hexenoic acid, 2-(phenylsulfinyl)-, ethyl ester, (E)-

Base Information

Chemical Name:2-Hexenoic acid, 2-(phenylsulfinyl)-, ethyl ester, (E)-
CAS No.:91077-13-3
Molecular Formula:C14H18O3S
Molecular Weight:266.361
Hs Code.:
DSSTox Substance ID:DTXSID801205497

Synonyms:2-Hexenoic acid, 2-(phenylsulfinyl)-, ethyl ester, (E)-;DTXSID801205497;91077-13-3

Suppliers and Price of 2-Hexenoic acid, 2-(phenylsulfinyl)-, ethyl ester, (E)-

Supply Marketing:

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

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Chemical Property of 2-Hexenoic acid, 2-(phenylsulfinyl)-, ethyl ester, (E)-

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:266.09766561
Heavy Atom Count:18
Complexity:317

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC=C(C(=O)OCC)S(=O)C1=CC=CC=C1
Isomeric SMILES:CCC/C=C(\C(=O)OCC)/S(=O)C1=CC=CC=C1

Technology Process of 2-Hexenoic acid, 2-(phenylsulfinyl)-, ethyl ester, (E)-

There total 2 articles about 2-Hexenoic acid, 2-(phenylsulfinyl)-, ethyl ester, (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: 79.0%

: 75804-48-7,91077-20-2
ethyl 2-phenylthio-2-hexenoate

: 91077-13-3
ethyl (2E)-2-phenylsulfinyl-2-hexenoate

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid;
DOI:10.1246/cl.1980.781

Reference yield:

: ethyl 2-phenylsulfinylhexanoate

: 91077-13-3
ethyl (2E)-2-phenylsulfinyl-2-hexenoate

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / CH₂Cl₂ / 5 h / Ambient temperature

2: 79 percent / m-chloroperbenzoic acid

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane;
DOI:10.1246/cl.1980.781