3-Thiophenecarboxylic acid, 4-(aminosulfonyl)-, methyl ester

Base Information

• Chemical Name: 3-Thiophenecarboxylic acid, 4-(aminosulfonyl)-, methyl ester
• CAS No.: 59337-78-9
• Molecular Formula: C6H7NO4S2
• Molecular Weight: 221.258
• DSSTox Substance ID: DTXSID40208083
• Nikkaji Number: J762.273B
• Wikidata: Q83082174
• Mol file: 59337-78-9.mol

Synonyms:methyl 4-sulfamoylthiophene-3-carboxylate;59337-78-9;3-Thiophenecarboxylic acid, 4-(aminosulfonyl)-, methyl ester;Methyl 4-(aminosulfonyl)-3-thiophenecarboxylate;C6H7NO4S2;SCHEMBL1379783;DTXSID40208083;BMRZKWAGTSKCLW-UHFFFAOYSA-N;AKOS000282081;LS-152983;CS-0290612;EN300-79594;4-Sulfamoylthiophene-3-carboxylic acid methyl ester;4-(aminosulfonyl)-3-thiophenecarboxylic acid methyl ester

Chemical Property of 3-Thiophenecarboxylic acid, 4-(aminosulfonyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 3.01E-07mmHg at 25°C
• Boiling Point: 419.6°Cat760mmHg
• Flash Point: 207.5°C
• Density: 1.517g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 220.98165005
• Heavy Atom Count: 13
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CSC=C1S(=O)(=O)N

Technology Process of 3-Thiophenecarboxylic acid, 4-(aminosulfonyl)-, methyl ester

There total 3 articles about 3-Thiophenecarboxylic acid, 4-(aminosulfonyl)-, methyl ester 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: 94.0%

thieno(3,4-d)-1,2-thiazol-3(2H)-one 1,1-dioxide (59337-79-0) + methanol (67-56-1) → 4-(aminosulfonyl)-3-thiophenecarboxylic acid methyl ester (59337-78-9)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1002/ardp.19873200914

Reference yield: 90.0%

4-chlorosulfonylthiophene-3-carboxylic acid methyl ester (59337-85-8) → 4-(aminosulfonyl)-3-thiophenecarboxylic acid methyl ester (59337-78-9)

Guidance literature:

With ammonia; In dichloromethane; at 0 ℃; for 4h;

DOI:10.1021/jo01292a012

Reference yield:

→ 4-(aminosulfonyl)-3-thiophenecarboxylic acid methyl ester (59337-78-9)

Guidance literature:

With ammonia; In tetrahydrofuran; at 0 ℃;

upstream raw materials:

thieno(3,4-d)-1,2-thiazol-3(2H)-one 1,1-dioxide

methanol

4-chlorosulfonylthiophene-3-carboxylic acid methyl ester

Downstream raw materials:

4-(aminosulfonyl)-N-<3-(3-formylphenoxy)propyl>-3-thiophenecarboxamide

4-(aminosulfonyl)-3-thiophenecarboxylic acid

2,3-dihydro-3-oxo-thieno<2,3-d>isothiazole-1,1-dioxide