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

Base Information

• Chemical Name: 2-amino-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• CAS No.: 83822-34-8
• Molecular Formula: C16H18N2OS
• Molecular Weight: 286.39200
• DSSTox Substance ID: DTXSID601142061
• Mol file: 83822-34-8.mol

Synonyms:2-amino-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;83822-34-8;2-Amino-N-(m-tolyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide;Oprea1_346402;DTXSID601142061;BBL014024;MFCD01176769;STK411682;AKOS000286712;VS-04121;CS-0317130;SR-01000216530;SR-01000216530-1;2-Amino-4,5,6,7-tetrahydro-N-(3-methylphenyl)benzo[b]thiophene-3-carboxamide

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

Chemical Property:

• Melting Point: 126 °C (ethanol)
• 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: 362

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 4 articles about 2-amino-N-(3-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: 71.0%

α-(N-m-tolylcarboxamide)-α-cyclohexylidene acetonitrile (89733-15-3) → 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid m-tolylamide (83822-34-8)

Guidance literature:

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

Reference yield:

2-cyano-N-m-tolylacetamide (54153-19-4) → 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid m-tolylamide (83822-34-8)

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;

Reference yield:

1-amino-3-methylbenzene (108-44-1) → 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid m-tolylamide (83822-34-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 58 percent / 4 h / 170 °C

2: 63 percent / CH₃COONH₄, CH₃COOH / benzene / 6 h / Heating

3: 71 percent / S, Et₂NH / ethanol / 3 h / 50 °C

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

upstream raw materials:

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

2-cyano-N-m-tolylacetamide

1-amino-3-methylbenzene

Downstream raw materials:

3-N-(3-methylphenyl)-4,5-tetramethylene thieno-[2,3-d][1,2,3]-triazin-4(3H)-one

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

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

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