3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one

Base Information

Chemical Name:3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one
CAS No.:113544-19-7
Molecular Formula:C₁₃H₁₂OS₂
Molecular Weight:248.37
Hs Code.:
DSSTox Substance ID:DTXSID60551482
Wikidata:Q82431170
Mol file:113544-19-7.mol

Synonyms:113544-19-7;3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one;DTXSID60551482

Suppliers and Price of 3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:248.03295735
Heavy Atom Count:16
Complexity:349

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(SC(=CC1=O)C2=CC=CC=C2)SC

Technology Process of 3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-one

There total 2 articles about 3-Methyl-2-(methylsulfanyl)-6-phenyl-4H-thiopyran-4-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:

: 95844-33-0
11-Bis-Methylmercapto-2-methyl-5-phenyl-pentadien-(1.4)-on-⁽³⁾

: (Z)-2-benzylidene-4-methyl-5-(methylthio)thiophen-3(2H)-one

: 113544-19-7
3-Methyl-2-methylsulfanyl-6-phenyl-thiopyran-4-one

Guidance literature:: With iodine; In dimethyl sulfoxide; at 150 ℃; for 8h; Overall yield = 73 %; regioselective reaction;
DOI:10.1002/adsc.201300815

Reference yield:

: 75-15-0,12122-00-8
carbon disulfide

: 19307-74-5
1-phenyl-pent-1-yn-3-one

: 113544-19-7
3-Methyl-2-methylsulfanyl-6-phenyl-thiopyran-4-one

: 113544-23-3
4-Methyl-5-methylsulfanyl-2-[1-phenyl-meth-(E)-ylidene]-thiophen-3-one

Guidance literature:: With sodium hydride; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, RT, 2 h; 2.) DMF, 3 h, RT;
DOI:10.1016/S0040-4039(00)96481-5