5-Amino-N,N-dimethyl-1-benzothiophene-2-carboxamide

Base Information

• Chemical Name: 5-Amino-N,N-dimethyl-1-benzothiophene-2-carboxamide
• CAS No.: 832103-01-2
• Molecular Formula: C11H12N2OS
• Molecular Weight: 220.295
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40475455
• Wikidata: Q82305997
• Mol file: 832103-01-2.mol

Synonyms:832103-01-2;5-AMINO-N,N-DIMETHYL-1-BENZOTHIOPHENE-2-CARBOXAMIDE;5-Amino-N,N-dimethylbenzo[b]thiophene-2-carboxamide;SCHEMBL18975725;DTXSID40475455;MFCD11053995;AKOS005172416;LS-03470;CS-0317136;FT-0684340;A915538

Chemical Property of 5-Amino-N,N-dimethyl-1-benzothiophene-2-carboxamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• PSA: 74.57000
• LogP: 2.76650
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 220.06703418
• Heavy Atom Count: 15
• Complexity: 257

Purity/Quality:

97% ^*data from raw suppliers

5-amino-N,N-dimethyl-1-benzothiophene-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)C1=CC2=C(S1)C=CC(=C2)N

Technology Process of 5-Amino-N,N-dimethyl-1-benzothiophene-2-carboxamide

There total 4 articles about 5-Amino-N,N-dimethyl-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:

N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide (20532-45-0) → 5-amino-N,N-dimethyl-benzo[b]thiophene-2-carboxamide (832103-01-2)

Guidance literature:

With hydrogen; Pd/C; In methanol; at 20 ℃; for 4h; under 2068.59 Torr;

DOI:10.1021/jm060814b

Reference yield:

methyl 5-nitrobenzo[b]thiophene-2-carboxylate (20699-86-9) → 5-amino-N,N-dimethyl-benzo[b]thiophene-2-carboxamide (832103-01-2)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium hydroxide / tetrahydrofuran / 16 h / 20 °C

2: benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 20 °C

3: hydrogen / Pd/C / methanol / 4 h / 20 °C / 2068.59 Torr

With lithium hydroxide; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; Pd/C; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/jm060814b

Reference yield:

5-nitrobenzo[b]thiophene-2-carboxylic acid (6345-55-7) → 5-amino-N,N-dimethyl-benzo[b]thiophene-2-carboxamide (832103-01-2)

Guidance literature:

Multi-step reaction with 2 steps

1: benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 20 °C

2: hydrogen / Pd/C / methanol / 4 h / 20 °C / 2068.59 Torr

With hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; Pd/C; In methanol; dichloromethane;

DOI:10.1021/jm060814b

upstream raw materials:

N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide

methyl 5-nitrobenzo[b]thiophene-2-carboxylate

5-nitrobenzo[b]thiophene-2-carboxylic acid

2-chloro-5-nitrobenzaldehyde

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