2-Mercaptobenzophenone

Base Information

• Chemical Name: 2-Mercaptobenzophenone
• CAS No.: 1801-99-6
• Molecular Formula: C13H10OS
• Molecular Weight: 214.288
• DSSTox Substance ID: DTXSID70393077
• Nikkaji Number: J1.146.513G
• Wikidata: Q82191695
• Mol file: 1801-99-6.mol

Synonyms:2-mercaptobenzophenone;1801-99-6;SCHEMBL329590;phenyl(2-sulfanylphenyl)methanone;DTXSID70393077;SPEXCGKGVJUPGG-UHFFFAOYSA-N

Chemical Property of 2-Mercaptobenzophenone

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.04523611
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Mercaptobenzophenone

There total 9 articles about 2-Mercaptobenzophenone 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: 80.0%

thiophenol (108-98-5) + benzonitrile (100-47-0) → 2-mercaptobenzophenone (1801-99-6)

Guidance literature:

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

benzonitrile; In cyclohexane; at 20 ℃; for 4h;

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

DOI:10.1023/A:1015331023769

Reference yield: 74.0%

S-(2-benzoylphenyl) dimethylcarbamothioate (1237533-86-6) → 2-mercaptobenzophenone (1801-99-6)

Guidance literature:

Reference yield: 72.0%

phenyllithium (591-51-5) + Thiosalicylic acid (147-93-3) → 2-mercaptobenzophenone (1801-99-6)

Guidance literature:

Thiosalicylic acid; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 1h; Inert atmosphere; Reflux;

phenyllithium; In tetrahydrofuran; dibutyl ether; mineral oil; at 0 - 20 ℃; for 20h; Inert atmosphere;

DOI:10.1002/anie.201809344

upstream raw materials:

thiophenol

benzonitrile

O-(2-benzoylphenyl) dimethylthiocarbamate

2-Hydroxybenzophenone

Downstream raw materials:

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

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

2-((2-benzoylphenylthio)methyl)-2-ethylhexanal

1-((2-Benzoylphenylthio)methyl)cyclohexanecarboxaldehyde