2-Benzamidothiophene-3-carboxamide

Base Information

• Chemical Name: 2-Benzamidothiophene-3-carboxamide
• CAS No.: 55654-16-5
• Molecular Formula: C₁₂H₁₀N₂O₂S
• Molecular Weight: 246.29
• DSSTox Substance ID: DTXSID101278285
• ChEMBL ID: CHEMBL1767238
• Mol file: 55654-16-5.mol

Synonyms:2-benzamidothiophene-3-carboxamide;55654-16-5;CHEMBL1767238;3-Thiophenecarboxamide, 2-(benzoylamino)-;IFLab1_005567;IFLab2_000025;DTXSID101278285;HMS1427N01;BDBM50342332;STK471590;AKOS001193201;CCG-285549;2-(Benzoylamino)-3-thiophenecarboxamide;IDI1_010970;IDI1_019051;2-[(phenylcarbonyl)amino]thiophene-3-carboxamide;AB00674052-01;EN300-24604827;SR-01000011710;SR-01000011710-1;F1358-0264

Chemical Property of 2-Benzamidothiophene-3-carboxamide

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 246.04629874
• Heavy Atom Count: 17
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)C(=O)N

Technology Process of 2-Benzamidothiophene-3-carboxamide

There total 3 articles about 2-Benzamidothiophene-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: 91.0%

2-aminothiophene-3-carboxamide (14080-51-4) + benzoyl chloride (98-88-4) → 2-benzamidothiophene-3-carboxamide (55654-16-5)

Guidance literature:

With pyridine; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112688

Reference yield: 45.0%

2-aminothiophene-3-carboxamide (14080-51-4) + benzoic acid (65-85-0,8013-63-6) → 2-benzamidothiophene-3-carboxamide (55654-16-5)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1016/j.bmc.2011.03.017

Reference yield:

→ 2-benzamidothiophene-3-carboxamide (55654-16-5)

Guidance literature:

Amino-2-thenamid-3, Benzoylchlorid / NEt3 / Benzol;

upstream raw materials:

2-aminothiophene-3-carboxamide

benzoic acid

benzoyl chloride

Downstream raw materials:

2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(2-phenyl-thieno[2,3-d]pyrimidin-4-ylamino)-ethanol

4-(morpholin-4-yl)-2-phenylthieno[2,3-d]pyrimidine

4-chloro-2-phenylthieno[2,3-d]pyrimidine