Methanone, (2-mercaptophenyl)(4-methylphenyl)-

Base Information

• Chemical Name: Methanone, (2-mercaptophenyl)(4-methylphenyl)-
• CAS No.: 162154-37-2
• Molecular Formula: C14H12OS
• Molecular Weight: 228.315
• DSSTox Substance ID: DTXSID80393902
• Nikkaji Number: J2.816.286C

Synonyms:Methanone, (2-mercaptophenyl)(4-methylphenyl)-;162154-37-2;SCHEMBL9002549;2-Mercapto-4'-methylbenzophenone;DTXSID80393902;(4-methylphenyl)(2-sulfanylphenyl)methanone

Chemical Property of Methanone, (2-mercaptophenyl)(4-methylphenyl)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.06088618
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2S

Technology Process of Methanone, (2-mercaptophenyl)(4-methylphenyl)-

There total 2 articles about Methanone, (2-mercaptophenyl)(4-methylphenyl)- 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: 32.0%

thiophenol (108-98-5) + para-methylbenzonitrile (104-85-8) → (4-methylphenyl)(2-sulfanylphenyl)methanone (162154-37-2)

Guidance literature:

thiophenol; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In cyclohexane; at 20 ℃; for 18h;

para-methylbenzonitrile; In cyclohexane; at 20 ℃; for 4h;

With sodium hydroxide; In cyclohexane; at 60 ℃; for 1h; pH=14;

DOI:10.1023/A:1015331023769

Reference yield:

p-tolyllithium (2417-95-0) + Thiosalicylic acid (147-93-3) → (4-methylphenyl)(2-sulfanylphenyl)methanone (162154-37-2)

Guidance literature:

DOI:10.1246/bcsj.77.2095

Reference yield: 84.0%

1-(chloromethyl)-1H-benzotriazole (54187-96-1) + (4-methylphenyl)(2-sulfanylphenyl)methanone (162154-37-2) → [2-(benzotriazol-1-ylmethylsulfanyl)phenyl](4-methylphenyl)methanone (476653-25-5)

Guidance literature:

(4-methylphenyl)(2-sulfanylphenyl)methanone; With sodium hydroxide; In ethanol; at 20 ℃; for 0.5h;

1-(chloromethyl)-1H-benzotriazole; In N,N-dimethyl-formamide; at 70 ℃; for 12h;

DOI:10.1023/A:1015331023769

upstream raw materials:

thiophenol

para-methylbenzonitrile

p-tolyllithium

Thiosalicylic acid

Downstream raw materials:

[2-(benzotriazol-1-ylmethylsulfanyl)phenyl](4-methylphenyl)methanone

{2-[1-(benzotriazol-1-yl)ethylsulfanyl]phenyl}(4-methylphenyl)methanone

3-(p-tolyl)benzothiophen

[2-(ethylsulfanyl)phenyl](4-methylphenyl)methanone

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