3-Methanesulfonamidothiophene-2-carboxylic acid

Base Information

• Chemical Name: 3-Methanesulfonamidothiophene-2-carboxylic acid
• CAS No.: 132864-57-4
• Molecular Formula: C₆H₇NO₄S₂
• Molecular Weight: 221.258
• Hs Code.: 2935009090
• European Community (EC) Number: 865-161-9
• Mol file: 132864-57-4.mol

Synonyms:132864-57-4;3-(Methylsulfonamido)-2-thiophenecarboxylic Acid;3-methanesulfonamidothiophene-2-carboxylic acid;3-(Methylsulfonamido)thiophene-2-carboxylic acid;3-(methanesulfonamido)thiophene-2-carboxylic acid;2-Thiophenecarboxylic acid, 3-[(methylsulfonyl)amino]-;MFCD09046315;3-(Methylsulfonamido)-2-thiophenecarboxylicAcid;3-[(Methylsulfonyl)amino]-2-thiophenecarboxylic acid;SCHEMBL16396059;NKUCNZKDJQOJFT-UHFFFAOYSA-N;AKOS002434459;MCULE-4487968263;AS-32036;SY015002;DB-062933;CS-0444612;EN300-43465;AB00998709-01;A888248;J-006234;Z239136188

Chemical Property of 3-Methanesulfonamidothiophene-2-carboxylic acid

Chemical Property:

• PSA: 120.09000
• LogP: 1.97160
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 220.98165005
• Heavy Atom Count: 13
• Complexity: 294

Purity/Quality:

97% ^*data from raw suppliers

3-(Methylsulfonamido)thiophene-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=C(SC=C1)C(=O)O

Technology Process of 3-Methanesulfonamidothiophene-2-carboxylic acid

There total 2 articles about 3-Methanesulfonamidothiophene-2-carboxylic acid 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:

methyl 3-(methylsulfonamido)thiophene-2-carboxylate (79128-71-5) → 3-(methylsulfonamido)thiophene-2-carboxylic acid (132864-57-4)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 80 ℃; for 0.5h; Microwave irradiation;

Reference yield:

Methyl 3-aminothiophene-2-carboxylate (22288-78-4) → 3-(methylsulfonamido)thiophene-2-carboxylic acid (132864-57-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 4 h / 0 - 20 °C

2: sodium hydroxide; water / tetrahydrofuran / 0.5 h / 80 °C / Microwave irradiation

With pyridine; water; sodium hydroxide; In tetrahydrofuran;

Reference yield:

(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-hydroxyethyl)pyridine 1-oxide + 3-(methylsulfonamido)thiophene-2-carboxylic acid (132864-57-4) → (S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3-(methylsulfonamido)thiophene-2-carbonyloxy)ethyl)pyridine-1-oxide

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 72h;

upstream raw materials:

Methyl 3-aminothiophene-2-carboxylate

methyl 3-(methylsulfonamido)thiophene-2-carboxylate

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