N-phenyl-1-benzothiophene-2-carboxamide

Base Information

• Chemical Name: N-phenyl-1-benzothiophene-2-carboxamide
• CAS No.: 6314-40-5
• Molecular Formula: C15H11 N O S
• Molecular Weight: 253.324
• NSC Number: 40284
• DSSTox Substance ID: DTXSID70285044
• Nikkaji Number: J2.844.182G
• Wikidata: Q82020270
• ChEMBL ID: CHEMBL1734491

Synonyms:N-phenyl-1-benzothiophene-2-carboxamide;6314-40-5;MLS002608207;Benzo[b]thiophene-2-carboxanilide;N-Phenyl-1-benzo[b]thiophene-2-carboxamide;NSC40284;benzothiophene-2-carboxanilide;SCHEMBL1853197;CHEMBL1734491;DTXSID70285044;QFWHYKVMOFOKHM-UHFFFAOYSA-N;HMS3078J06;NSC-40284;AKOS008997505;N-phenyl-benzo[b]thiophene-2-carboxamide;SMR001526958

Chemical Property of N-phenyl-1-benzothiophene-2-carboxamide

Chemical Property:

• Vapor Pressure: 5.87E-05mmHg at 25°C
• Boiling Point: 346.2°C at 760 mmHg
• Flash Point: 163.1°C
• Density: 1.32g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 253.05613515
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2

Technology Process of N-phenyl-1-benzothiophene-2-carboxamide

There total 6 articles about N-phenyl-1-benzothiophene-2-carboxamide 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: 74.0%

benzo[b]thiophene-2-carboxylic acid (6314-28-9) + aniline (62-53-3) → N-phenylbenzo[b]thiophene-2-carboxamide (6314-40-5)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1021/acsmedchemlett.0c00373

Reference yield: 27.0%

→ N-phenylbenzo[b]thiophene-2-carboxamide (6314-40-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 0.166667h;

With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

palladium on active charcoal + 3-chloro-N-phenylbenzothiophene-2-carboxamide (52694-94-7) → N-phenylbenzo[b]thiophene-2-carboxamide (6314-40-5)

Guidance literature:

With potassium hydroxide; In 1-methyl-pyrrolidin-2-one; water;

upstream raw materials:

Benzo[b]thiophene

3-chloro-N-phenylbenzothiophene-2-carboxamide

benzo[b]thiophene-2-carboxylic acid

aniline

Downstream raw materials:

N-phenylbenzo[b]thiophene-2-carboxamide 1,1-dioxide

2-Methylbenzothiophene

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