2'-Mercaptoacetophenone

Base Information

• Chemical Name: 2'-Mercaptoacetophenone
• CAS No.: 26824-02-2
• Molecular Formula: C8H8OS
• Molecular Weight: 152.217
• Hs Code.: 2930909090
• European Community (EC) Number: 858-889-3
• Nikkaji Number: J1.591.620F
• Mol file: 26824-02-2.mol

Synonyms:2'-mercaptoacetophenone;26824-02-2;1-(2-sulfanylphenyl)ethanone;1-(2-MERCAPTOPHENYL)ETHAN-1-ONE;1-(2-mercaptophenyl)ethanone;1-(2-sulfanylphenyl)ethan-1-one;1-(2-mercapto-phenyl)-ethanone;acetylthiophenol;2-acetylthiophenol;Ethanone, 1-(2-mercaptophenyl)-;2-Acetylbenzenethiol;o-mercaptoacetophenone;SCHEMBL1738490;BUTXTARTNBKCLG-UHFFFAOYSA-N;BBA82402;MFCD12031481;AS-43725;EN300-91815

Chemical Property of 2'-Mercaptoacetophenone

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 250.142 °C at 760 mmHg
• PKA: 5.78±0.43(Predicted)
• Flash Point: 105.083 °C
• PSA: 55.87000
• Density: 1.14 g/cm³
• LogP: 2.17790
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.02958605
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

2′-Mercaptoacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1S

Technology Process of 2'-Mercaptoacetophenone

There total 20 articles about 2'-Mercaptoacetophenone 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: 91.0%

methyllithium (917-54-4) + Thiosalicylic acid (147-93-3) → 1-(2-mercaptophenyl)ethan-1-one (26824-02-2)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 85.0%

S-(2-acetophenyl) benzothioate (130826-24-3) → 1-(2-mercaptophenyl)ethan-1-one (26824-02-2)

Guidance literature:

With titanium tetrachloride; zinc; In dichloromethane; at 25 ℃; for 0.166667h;

DOI:10.1055/s-2001-18769

Reference yield: 85.0%

Thiosalicylic acid (147-93-3) → 1-(2-mercaptophenyl)ethan-1-one (26824-02-2)

Guidance literature:

With methyllithium; In tetrahydrofuran; diethyl ether; Ambient temperature;

DOI:10.1021/jo00122a046

upstream raw materials:

1-thioflavone

sodium ethanolate

2-aminoacetophenone

S-phenyl thioacetate

Downstream raw materials:

2-<(4-chlorobenzyl)thio>acetophenone

4-hydroxythiocumarin

2-(2,2-dichloro-1-methylvinyl)benzenethiol

1,1-Dichloro-2-propene