2-Methyl-1-(4-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

Base Information

• Chemical Name: 2-Methyl-1-(4-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
• CAS No.: 67686-87-7
• Molecular Formula: C13H16OS2
• Molecular Weight: 252.401
• DSSTox Substance ID: DTXSID00497072

Synonyms:67686-87-7;2-Methyl-1-(4-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one;DTXSID00497072

Chemical Property of 2-Methyl-1-(4-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 252.06425748
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(=C(SC)SC)C

Technology Process of 2-Methyl-1-(4-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

There total 1 articles about 2-Methyl-1-(4-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-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: 58.0%

di-tert-butyl peroxide (110-05-4) + 3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one (41467-27-0) → 1-p-methylphenyl-2-methyl-3,3-bis(methylthio)-2-propen-1-one (67686-87-7)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; iron(III) chloride; In benzene; at 130 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.201700654

Reference yield: 51.0%

1-p-methylphenyl-2-methyl-3,3-bis(methylthio)-2-propen-1-one (67686-87-7) → (Z)-2-Methyl-3-methylsulfanyl-1-p-tolyl-propenone (82753-76-2)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In ethanol; for 8h; Heating;

DOI:10.1055/s-1982-29791

Reference yield: 35.0%

1-p-methylphenyl-2-methyl-3,3-bis(methylthio)-2-propen-1-one (67686-87-7) → (E)-3-Methylsulfanyl-2-methylsulfanylmethyl-1-p-tolyl-propenone (82238-83-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 50 - 60 ℃; for 4h;

DOI:10.1016/S0040-4039(00)86997-X

upstream raw materials:

di-tert-butyl peroxide

3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

Downstream raw materials:

(Z)-2-Methyl-3-methylsulfanyl-1-p-tolyl-propenone

(E)-3-Methylsulfanyl-2-methylsulfanylmethyl-1-p-tolyl-propenone

1-p-methylphenyl-2,3-dimethyl-2-buten-1-one

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