Methyl 3-(benzoylamino)-2-thiophenecarboxylate

Base Information

• Chemical Name: Methyl 3-(benzoylamino)-2-thiophenecarboxylate
• CAS No.: 79128-70-4
• Molecular Formula: C13H11 N O3 S
• Molecular Weight: 261.3
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10353332
• Wikidata: Q82130848
• ChEMBL ID: CHEMBL1425425
• Mol file: 79128-70-4.mol

Synonyms:methyl 3-benzamidothiophene-2-carboxylate;79128-70-4;methyl 3-(benzoylamino)-2-thiophenecarboxylate;Maybridge1_005239;Oprea1_221072;MLS000721856;SCHEMBL9070025;CHEMBL1425425;HMS556G03;DTXSID10353332;ILRZDTPFHHAMMM-UHFFFAOYSA-N;HMS2618F06;MFCD00665577;AKOS003861701;8N-360S;SMR000337008;CS-0302131;FT-0680654;A864911;J-522146;METHYL3-(BENZOYLAMINO)-2-THIOPHENECARBOXYLATE;Z94551012

Chemical Property of Methyl 3-(benzoylamino)-2-thiophenecarboxylate

Chemical Property:

• Vapor Pressure: 0.000135mmHg at 25°C
• Melting Point: 99-101°
• Refractive Index: 1.645
• Boiling Point: 333.6°C at 760 mmHg
• Flash Point: 155.6°C
• PSA: 83.64000
• Density: 1.335g/cm³
• LogP: 2.86000
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 261.04596439
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-(benzoylamino)-2-thiophenecarboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2

Technology Process of Methyl 3-(benzoylamino)-2-thiophenecarboxylate

There total 2 articles about Methyl 3-(benzoylamino)-2-thiophenecarboxylate 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: 98.0%

Methyl 3-aminothiophene-2-carboxylate (22288-78-4) + benzoyl chloride (98-88-4) → methyl 3-benzoylaminothiophene-2-carboxylate (79128-70-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1039/b915274a

Reference yield: 82.0%

Methyl 3-aminothiophene-2-carboxylate (22288-78-4) + Benzoyl bromide (618-32-6) → methyl 3-benzoylaminothiophene-2-carboxylate (79128-70-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.jmedchem.9b01198

Reference yield: 83.0%

methyl 3-benzoylaminothiophene-2-carboxylate (79128-70-4) → 3-benzamidothiophene-2-carboxylic acid

Guidance literature:

With potassium hydrogencarbonate; In methanol; water; for 1h; Heating;

upstream raw materials:

Methyl 3-aminothiophene-2-carboxylate

benzoyl chloride

Benzoyl bromide

Downstream raw materials:

N-Thiophen-3-yl-benzamide

3-benzoylaminothiophene-2-carboxamide

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