4,4-Bis(methylsulfanyl)-1-phenylbut-3-en-1-one

Base Information

Chemical Name:4,4-Bis(methylsulfanyl)-1-phenylbut-3-en-1-one
CAS No.:71290-66-9
Molecular Formula:C₁₂H₁₄OS₂
Molecular Weight:238.375
Hs Code.:
DSSTox Substance ID:DTXSID901265715

Synonyms:71290-66-9;DTXSID901265715;4,4-Bis(methylthio)-1-phenyl-3-buten-1-one

Suppliers and Price of 4,4-Bis(methylsulfanyl)-1-phenylbut-3-en-1-one

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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 4,4-Bis(methylsulfanyl)-1-phenylbut-3-en-1-one

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:238.04860741
Heavy Atom Count:15
Complexity:224

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSC(=CCC(=O)C1=CC=CC=C1)SC

Technology Process of 4,4-Bis(methylsulfanyl)-1-phenylbut-3-en-1-one

There total 4 articles about 4,4-Bis(methylsulfanyl)-1-phenylbut-3-en-1-one 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: 76.0%

: 247590-31-4
3-hydroxy-4,4-bis(methylsulfanyl)-1-phenylbutan-1-one

: 71290-66-9
4,4-bis(methylsulfanyl)-1-phenylbut-3-en-1-one

Guidance literature:: With methanesulfonyl chloride; triethylamine; In toluene; for 6h; Heating;
DOI:10.1021/jo010986a

Reference yield:

: 98-86-2
acetophenone

: 71290-66-9
4,4-bis(methylsulfanyl)-1-phenylbut-3-en-1-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 0.67 h / -78 °C

1.2: 84 percent / tetrahydrofuran; hexane / 1 h / -78 °C

2.1: 76 percent / mesyl chloride; triethylamine / toluene / 6 h / Heating

With n-butyllithium; methanesulfonyl chloride; triethylamine; diisopropylamine; In tetrahydrofuran; hexane; toluene;
DOI:10.1021/ol990865l

Reference yield:

: 98-86-2
acetophenone

: 71290-66-9
4,4-bis(methylsulfanyl)-1-phenylbut-3-en-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / n-BuLi; diisopropylamine / tetrahydrofuran; hexane / 1 h / -78 °C

2: 76 percent / MsCl; Et₃N / toluene / 6 h / Heating

With n-butyllithium; methanesulfonyl chloride; triethylamine; diisopropylamine; In tetrahydrofuran; hexane; toluene;
DOI:10.1021/jo010986a