Benzenecarbothioamide, N-(4-bromophenyl)-

Base Information

• Chemical Name: Benzenecarbothioamide, N-(4-bromophenyl)-
• CAS No.: 73376-00-8
• Molecular Formula: C13H10BrNS
• Molecular Weight: 292.199
• DSSTox Substance ID: DTXSID40223615
• Nikkaji Number: J1.248.143H
• Mol file: 73376-00-8.mol

Synonyms:4'-Bromothiobenzanilide;Benzanilide, 4'-bromothio-;Benzenecarbothioamide, N-(4-bromophenyl)-;N-(4-bromophenyl)benzenecarbothioamide;73376-00-8;C13H10BrNS;N-(4-Bromophenyl)thiobenzamide;DTXSID40223615;STL581170;AKOS024353899

Chemical Property of Benzenecarbothioamide, N-(4-bromophenyl)-

Chemical Property:

• Vapor Pressure: 8.85E-06mmHg at 25°C
• Boiling Point: 373.6°Cat760mmHg
• Flash Point: 179.8°C
• Density: 1.518g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 290.97173
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Br

Technology Process of Benzenecarbothioamide, N-(4-bromophenyl)-

There total 11 articles about Benzenecarbothioamide, N-(4-bromophenyl)- 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: 92.0%

phenyllithium (591-51-5) + 4-Bromophenyl isothiocyanate (1985-12-2) → N-(4-bromophenyl)benzothioamide (73376-00-8)

Guidance literature:

In dibutyl ether; at -78 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.201504247

Reference yield: 84.0%

N-(4-bromophenyl)benzamide (7702-38-7) → N-(4-bromophenyl)benzothioamide (73376-00-8)

Guidance literature:

N-(4-bromophenyl)benzamide; With Lawessons reagent; In toluene; for 4h; Reflux;

In ethanol; toluene; for 2h; Reflux;

DOI:10.3762/bjoc.17.69

Reference yield: 72.0%

4-N,N-dimethylamino-2-N-phenylamino-1-thia-3-azabutadiene (59819-37-3,1661847-00-2) + N-(4-Bromo-phenyl)-benzimidoyl chloride (51300-42-6) → N-(4-bromophenyl)benzothioamide (73376-00-8)

Guidance literature:

In tetrahydrofuran; for 5h; Heating;

upstream raw materials:

N-(4-bromophenyl)benzamide

4-N,N-dimethylamino-2-N-phenylamino-1-thia-3-azabutadiene

N-(4-Bromo-phenyl)-benzimidoyl chloride

benzoic acid

Downstream raw materials:

N-(4-bromophenyl)benzamide

6-(1-naphthalenylphenylamino)-2-phenylbenzothiazole

6-bromo-2-phenylbenzo[d]thiazole