2-[(4-Methoxyphenyl)sulfanyl]benzamide

Base Information

• Chemical Name: 2-[(4-Methoxyphenyl)sulfanyl]benzamide
• CAS No.: 89114-62-5
• Molecular Formula: C14H13NO2S
• Molecular Weight: 259.329
• DSSTox Substance ID: DTXSID80553589
• Nikkaji Number: J1.021.874H
• Wikidata: Q82434212
• Mol file: 89114-62-5.mol

Synonyms:89114-62-5;benzamide,2-[(4-methoxyphenyl)thio]-;2-[(4-Methoxyphenyl)sulfanyl]benzamide;SCHEMBL21248523;DTXSID80553589;AKOS005215773

Chemical Property of 2-[(4-Methoxyphenyl)sulfanyl]benzamide

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 259.06669983
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)N

Technology Process of 2-[(4-Methoxyphenyl)sulfanyl]benzamide

There total 7 articles about 2-[(4-Methoxyphenyl)sulfanyl]benzamide 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: 98.0%

2-(4-Methoxyphenylthio)benzoyl chloride (43183-12-6) → 2-(4-Methoxy-phenylsulfanyl)-benzamide (89114-62-5)

Guidance literature:

With ammonium hydroxide; In benzene; for 2h; Ambient temperature;

Reference yield: 85.0%

O-Methyl-2-(4-methoxyphenylthio)benzohydroxamic acid (89114-61-4) → 2-(4-Methoxy-phenylsulfanyl)-benzamide (89114-62-5)

Guidance literature:

With 9,10-Dicyanoanthracene; In benzene; for 2h; Irradiation; methanol;

DOI:10.1016/S0040-4039(00)94138-8

Reference yield: 85.0%

4-Methoxybenzenethiol (696-63-9) + 2-fluorobenzamide (445-28-3) → 2-(4-Methoxy-phenylsulfanyl)-benzamide (89114-62-5)

Guidance literature:

With potassium fluoride on basic alumina; 18-crown-6 ether; In dimethyl sulfoxide; for 24h; Heating;

DOI:10.1021/jo980800g

upstream raw materials:

2-(4-Methoxyphenylthio)benzoyl chloride

O-Methyl-2-(4-methoxyphenylthio)benzohydroxamic acid

2-(4'-Methoxyphenylthio)benzohydroxamic acid

4-Methoxybenzenethiol

Downstream raw materials:

4-(2-Aminomethyl-phenylsulfanyl)-phenol

2-(4-Methoxy-phenylsulfanyl)-benzylamine