3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-

Base Information

• Chemical Name: 3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-
• CAS No.: 140947-42-8
• Molecular Formula: C12H11 N O4 S2
• Molecular Weight: 297.35
• DSSTox Substance ID: DTXSID80161507
• Nikkaji Number: J762.276G
• Wikidata: Q83029937
• Mol file: 140947-42-8.mol

Synonyms:140947-42-8;4-((Methylphenylamino)sulfonyl)-3-thiophenecarboxylic acid;3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-;DTXSID80161507;LS-153033;4-(Methylphenylsulfamoyl)thiophene-3-carboxylic acid;4-[(methylanilino)sulfonyl]-3-thiophenecarboxylic acid

Chemical Property of 3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-

Chemical Property:

• Vapor Pressure: 1.35E-10mmHg at 25°C
• Boiling Point: 494.5°C at 760 mmHg
• PKA: 3.45±0.20(Predicted)
• Flash Point: 252.9°C
• PSA: 111.30000
• Density: 1.493g/cm³
• LogP: 3.35220
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 297.01295018
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=CSC=C2C(=O)O

Technology Process of 3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-

There total 4 articles about 3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)- 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: 90.0%

methyl 4-(N-phenyl-N-methyl)sulfamoylthiophene-3-carboxylate (140947-41-7) → 4-(N-phenyl-N-methyl)sulfamoylthiophene 3-carboxylic acid (140947-42-8)

Guidance literature:

With sodium hydroxide; for 0.5h; Heating;

DOI:10.1002/jhet.5570300608

Reference yield:

4-chlorosulfonylthiophene-3-carboxylic acid methyl ester (59337-85-8) → 4-(N-phenyl-N-methyl)sulfamoylthiophene 3-carboxylic acid (140947-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / tetrahydrofuran / 2 h / Heating

2: 90 percent / 1 N aq. NaOH / 2 h / Heating

With sodium hydroxide; In tetrahydrofuran;

DOI:10.1002/ardp.19963290503

Reference yield:

N-methylaniline (100-61-8) → 4-(N-phenyl-N-methyl)sulfamoylthiophene 3-carboxylic acid (140947-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / tetrahydrofuran / 2 h / Heating

2: 90 percent / 1 N aq. NaOH / 2 h / Heating

With sodium hydroxide; In tetrahydrofuran;

DOI:10.1002/ardp.19963290503

upstream raw materials:

methyl 4-(N-phenyl-N-methyl)sulfamoylthiophene-3-carboxylate

4-chlorosulfonylthiophene-3-carboxylic acid methyl ester

N-methylaniline

Refernces

• 1、 Vega,Diaz. "Synthesis of thieno[3,4-c] and thieno[3,2-c][2,1]benzothiazepines". . p. 1509 - 1512. Retrieved 2007/10/02.