4-Chloro-4'-(methylthio)benzophenone

Base Information

• Chemical Name: 4-Chloro-4'-(methylthio)benzophenone
• CAS No.: 72585-17-2
• Molecular Formula: C14H11ClOS
• Molecular Weight: 262.76
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60374017
• Nikkaji Number: J2.695.973J
• Wikidata: Q82162457
• Mol file: 72585-17-2.mol

Synonyms:72585-17-2;4-Chloro-4'-(methylthio)benzophenone;(4-chlorophenyl)-(4-methylsulfanylphenyl)methanone;(4-Chlorophenyl)(4-(methylthio)phenyl)methanone;SCHEMBL7808792;DTXSID60374017;MFCD06201496;AKOS016018772;(4-chloro-phenyl)-(4-methylsulfanyl-phenyl)-methanone;(4-CHLOROPHENYL)[4-(METHYLSULFANYL)PHENYL]METHANONE

Chemical Property of 4-Chloro-4'-(methylthio)benzophenone

Chemical Property:

• Vapor Pressure: 1.02E-06mmHg at 25°C
• Boiling Point: 403.4oC at 760 mmHg
• Flash Point: 197.8oC
• PSA: 42.37000
• Density: 1.28g/cm3
• LogP: 4.29290
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 262.0219138
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

98% ^*data from raw suppliers

4-Chloro-4'-(thiomethyl)benzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-Chloro-4'-(methylthio)benzophenone

There total 5 articles about 4-Chloro-4'-(methylthio)benzophenone 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: 87.0%

methyl-phenyl-thioether (100-68-5) + 4-chloro-benzoyl chloride (122-01-0) → 4-chloro-4'-methylthiobenzophenone (72585-17-2)

Guidance literature:

4-chloro-benzoyl chloride; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.25h;

methyl-phenyl-thioether; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.1016/j.bmc.2018.06.038

Reference yield:

4-chlorobenzaldehyde (104-88-1) → 4-chloro-4'-methylthiobenzophenone (72585-17-2)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; chromium(VI) oxide / 1.5 h / 70 °C

2: thionyl chloride / tetrachloromethane; N,N-dimethyl-formamide / 5 h / Reflux

3: aluminum (III) chloride / dichloromethane / 4 h / Reflux

With chromium(VI) oxide; aluminum (III) chloride; thionyl chloride; acetic acid; In tetrachloromethane; dichloromethane; N,N-dimethyl-formamide; 2: |Friedel-Crafts Acylation;

DOI:10.3390/molecules24091751

Reference yield:

para-chlorobenzoic acid (74-11-3) → 4-chloro-4'-methylthiobenzophenone (72585-17-2)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / tetrachloromethane; N,N-dimethyl-formamide / 5 h / Reflux

2: aluminum (III) chloride / dichloromethane / 4 h / Reflux

With aluminum (III) chloride; thionyl chloride; In tetrachloromethane; dichloromethane; N,N-dimethyl-formamide; 1: |Friedel-Crafts Acylation;

DOI:10.3390/molecules24091751

upstream raw materials:

methyl-phenyl-thioether

4-chloro-benzoyl chloride

4-chlorobenzaldehyde

para-chlorobenzoic acid

Downstream raw materials:

4-chloro-4'-(methylsulphonyl)benzophenone

4'-methylthio-4-mercapto benzophenone

4'-chloro-4-(trichloromethylsulfenyl)benzophenone