2-amino-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Base Information

• Chemical Name: 2-amino-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• CAS No.: 83822-35-9
• Molecular Formula: C16H18N2OS
• Molecular Weight: 286.398
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID901140945
• Nikkaji Number: J2.183.074G
• Mol file: 83822-35-9.mol

Synonyms:2-amino-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;83822-35-9;2-Amino-N-(P-tolyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide;Oprea1_278902;Oprea1_626220;DTXSID901140945;BBL013574;MFCD00421038;STK198316;AKOS000286705;VS-03870;CS-0281370;EN300-228722;SR-01000216720;SR-01000216720-1;2-amino-N-(p-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide;2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid p-tolylamide;2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid p-tolylamide;2-Amino-4,5,6,7-tetrahydro-N-(4-methylphenyl)benzo[b]thiophene-3-carboxamide;Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-N-(4-methylphenyl)-;N-(4-Methylphenyl)-2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Chemical Property of 2-amino-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Chemical Property:

• PSA: 83.36000
• LogP: 4.42400
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 286.11398438
• Heavy Atom Count: 20
• Complexity: 354

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N

Technology Process of 2-amino-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

There total 6 articles about 2-amino-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-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: 95.0%

2-cyano-N-(4-methylphenyl)acetamide (6876-54-6) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid p-tolyl-amide (83822-35-9)

Guidance literature:

With morpholine; aluminum oxide; sulfur; for 0.166667h; microwave irradiation;

DOI:10.1081/SCC-200057268

Reference yield: 53.0%

α-(N-p-tolylcarboxamide)-α-cyclohexylidene acetonitrile (89733-16-4) → 2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid p-tolyl-amide (83822-35-9)

Guidance literature:

With diethylamine; In ethanol; at 50 ℃; for 3h;

Reference yield:

2-cyano-N-(4-methylphenyl)acetamide (6876-54-6) → 2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid p-tolyl-amide (83822-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate, glacial acetic acid / benzene / 10 h / Heating

2: sulphur, diethylamine / ethanol / 1 h / 45 - 50 °C

With ammonium acetate; sulfur; acetic acid; diethylamine; In ethanol; benzene;

upstream raw materials:

α-(N-p-tolylcarboxamide)-α-cyclohexylidene acetonitrile

2-cyano-N-(4-methylphenyl)acetamide

cyclohexanone

p-toluidine

Downstream raw materials:

3-p-tolyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

N-(3-p-Tolylcarbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-oxalamic acid ethyl ester

N-(3-p-Tolylcarbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-malonamic acid ethyl ester

2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid p-tolylamide

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