1-Butanone, 2-[bis(methylthio)methylene]-1-phenyl-

Base Information

• Chemical Name: 1-Butanone, 2-[bis(methylthio)methylene]-1-phenyl-
• CAS No.: 61541-62-6
• Molecular Formula: C₁₃H₁₆OS₂
• Molecular Weight: 252.401
• DSSTox Substance ID: DTXSID30485801

Synonyms:61541-62-6;1-Butanone, 2-[bis(methylthio)methylene]-1-phenyl-;2-[bis(methylsulfanyl)methylidene]-1-phenylbutan-1-one;DTXSID30485801;2-ethyl-3,3-bis(methylsulfanyl)-1-phenyl-2-propen-1-one

Chemical Property of 1-Butanone, 2-[bis(methylthio)methylene]-1-phenyl-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 252.06425748
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(SC)SC)C(=O)C1=CC=CC=C1

Technology Process of 1-Butanone, 2-[bis(methylthio)methylene]-1-phenyl-

There total 2 articles about 1-Butanone, 2-[bis(methylthio)methylene]-1-phenyl- 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:

carbon disulfide (75-15-0,12122-00-8) + propiophenone (495-40-9) + methyl iodide (74-88-4) → 2-Ethyl-3,3-dimethylmercapto-1-phenyl-prop-2-en-1-on (61541-62-6)

Guidance literature:

Multistep reaction; (i) NaOtBu, benzene, (ii) /BRN= 969135/;

DOI:10.1016/0040-4020(76)85196-4

Reference yield:

→ 2-Ethyl-3,3-dimethylmercapto-1-phenyl-prop-2-en-1-on (61541-62-6)

Guidance literature:

Dithioacetal 5, 1) LiN(i-C3H7)2, HMPA, 2) CH3I;

DOI:10.1016/S0040-4039(01)86329-2

Reference yield: 71.0%

2-Ethyl-3,3-dimethylmercapto-1-phenyl-prop-2-en-1-on (61541-62-6) + allylmagnesium bromide (1730-25-2) → 5-(Bis-methylsulfanyl-methylene)-4-phenyl-hept-1-en-4-ol

Guidance literature:

In diethyl ether; at 0 - 5 ℃;

upstream raw materials:

carbon disulfide

propiophenone

methyl iodide

Downstream raw materials:

3-Ethyl-2-methylthio-4-phenylthiophene

2-[1-Methylsulfanyl-meth-(Z)-ylidene]-1-phenyl-butan-1-one

2-(Bis-methylsulfanyl-methylene)-1-phenyl-butan-1-ol

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