N-(3-aminophenyl)thiophene-2-carboxamide

Base Information

• Chemical Name: N-(3-aminophenyl)thiophene-2-carboxamide
• CAS No.: 39880-85-8
• Molecular Formula: C11H10N2OS
• Molecular Weight: 218.279
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20350195
• Wikidata: Q82126008
• ChEMBL ID: CHEMBL1606399
• Mol file: 39880-85-8.mol

Synonyms:N-(3-aminophenyl)thiophene-2-carboxamide;39880-85-8;N-(3-aminophenyl)-2-thiophenecarboxamide;MLS000061987;CHEMBL1606399;SCHEMBL13874759;DTXSID20350195;HMS2347E07;BBL000079;CCG-18406;MFCD02258056;STK032084;AKOS000108407;SDCCGMLS-0042516.P002;SMR000070848;VS-00432;BB 0245296;CS-0215670;EU-0008147;EN300-27339;thiophene-2-carboxylic acid (3-aminophenyl)amide;SR-01000462218;Thiophene-2-carboxylic acid (3-aminophenyl)-amide;thiophene-2-carboxylic acid(3-amino-phenyl)-amide;SR-01000462218-1;Thiophene-2-carboxylic acid (3-amino-phenyl)-amide;Z57243696

Chemical Property of N-(3-aminophenyl)thiophene-2-carboxamide

Chemical Property:

• Vapor Pressure: 0.000469mmHg at 25°C
• Boiling Point: 314.3°C at 760 mmHg
• PKA: 12.35±0.70(Predicted)
• Flash Point: 143.9°C
• PSA: 83.36000
• Density: 1.363g/cm³
• LogP: 3.23680
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.05138412
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98%Min ^*data from raw suppliers

N-(3-Aminophenyl)thiophene-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)N

Technology Process of N-(3-aminophenyl)thiophene-2-carboxamide

There total 5 articles about N-(3-aminophenyl)thiophene-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: 70.0%

N-(3-nitrophenyl)thiophene-2-carboxamide (39880-87-0) → N-(3-aminophenyl)thiophene-2-carboxamide (39880-85-8)

Guidance literature:

With iron; calcium chloride; In ethanol; water; at 60 ℃;

DOI:10.1016/j.bmc.2019.05.012

Reference yield:

3-nitro-aniline (99-09-2) → N-(3-aminophenyl)thiophene-2-carboxamide (39880-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / acetonitrile / 3 h / 75 °C

2: sodium tetrahydroborate / methanol; dichloromethane / 3 h / 0 - 20 °C

With sodium tetrahydroborate; triethylamine; In methanol; dichloromethane; acetonitrile;

DOI:10.1016/j.bmcl.2014.06.032

Reference yield:

2-Thiophenecarbonyl chloride (5271-67-0) → N-(3-aminophenyl)thiophene-2-carboxamide (39880-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / acetonitrile / 3 h / 75 °C

2: sodium tetrahydroborate / methanol; dichloromethane / 3 h / 0 - 20 °C

With sodium tetrahydroborate; triethylamine; In methanol; dichloromethane; acetonitrile;

DOI:10.1016/j.bmcl.2014.06.032

upstream raw materials:

N-(3-nitrophenyl)thiophene-2-carboxamide

3-nitro-aniline

2-Thiophenecarbonyl chloride

2-thiophenylcarboxylic acid

Downstream raw materials:

3,4,5-trimethoxy-N-(3-(2-thienylcarboxamido)phenylcarbamothioyl)benzamide

C₁₈H₁₄N₂O₂S

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