N-benzyl-3-chloro-1-benzothiophene-2-carboxamide

Base Information

• Chemical Name: N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
• CAS No.: 62524-16-7
• Molecular Formula: C16H12ClNOS
• Molecular Weight: 301.79100
• DSSTox Substance ID: DTXSID20350216
• Wikidata: Q82126039
• Mol file: 62524-16-7.mol

Synonyms:N-benzyl-3-chloro-1-benzothiophene-2-carboxamide;62524-16-7;Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(phenylmethyl)-;N-benzyl-3-chlorobenzo[b]thiophene-2-carboxamide;Oprea1_265615;Oprea1_634177;DTXSID20350216;STK001182;AKOS000492357;CCG-277035;CS-0299719;AE-641/30206004;SR-01000476947;SR-01000476947-1;BRD-K53583773-001-01-9;N-benzyl-3-chloro-1-benzo[b]thiophene-2-carboxamide;Z27749763;F0095-2439

Chemical Property of N-benzyl-3-chloro-1-benzothiophene-2-carboxamide

Chemical Property:

• PSA: 60.83000
• LogP: 5.05950
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 301.0328129
• Heavy Atom Count: 20
• Complexity: 345

Purity/Quality:

N-benzyl-3-chloro-1-benzothiophene-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Technology Process of N-benzyl-3-chloro-1-benzothiophene-2-carboxamide

There total 2 articles about N-benzyl-3-chloro-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%

3-chlorobenzo[b]thiophen-2-carbonyl chloride (21815-91-8) + benzylamine (100-46-9) → N-benzylamide of 3-chlorobenzothiophene-2-carboxylic acid (62524-16-7)

Guidance literature:

With 1,6-anhydro-3,4-dideoxy-β-D-glycero-hexopyranos-2-ulose; triethylamine; at 0 - 20 ℃; for 1h;

DOI:10.1039/c9gc01180c

Reference yield:

→ N-benzylamide of 3-chlorobenzothiophene-2-carboxylic acid (62524-16-7)

Guidance literature:

aus 3-Chlorbenzthiophen-2-carbonsaeurechlorid 1, Benzylamin;

Reference yield: 47.0%

N-benzylamide of 3-chlorobenzothiophene-2-carboxylic acid (62524-16-7) → N-benzylamide of benzothiophene-2-carboxylic acid (68899-41-2)

Guidance literature:

In isopropyl alcohol; acetone; for 9h; Irradiation;

upstream raw materials:

3-chlorobenzo[b]thiophen-2-carbonyl chloride

benzylamine

Downstream raw materials:

N-benzylamide of benzothiophene-2-carboxylic acid

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