Methyl 3-amino-4-(4-chlorophenyl)sulfonylthiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4-(4-chlorophenyl)sulfonylthiophene-2-carboxylate
• CAS No.: 175137-53-8
• Molecular Formula: C12H10 Cl N O4 S2
• Molecular Weight: 331.7951
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50384807
• Nikkaji Number: J1.176.269G
• Wikidata: Q82177174
• Mol file: 175137-53-8.mol

Synonyms:175137-53-8;methyl 3-amino-4-(4-chlorophenyl)sulfonylthiophene-2-carboxylate;methyl 3-amino-4-[(4-chlorophenyl)sulfonyl]thiophene-2-carboxylate;2-Thiophenecarboxylic acid, 3-amino-4-[(4-chlorophenyl)sulfonyl]-, methyl ester;Methyl 3-amino-4-(4-chlorobenzenesulfonyl)thiophene-2-carboxylate;Methyl 3-amino-4-((4-chlorophenyl)sulfonyl)thiophene-2-carboxylate;HMS1440J19;Maybridge3_003385;DTXSID50384807;OSWXRGHMXRQALH-UHFFFAOYSA-N;CCG-253376;IDI1_014772;Methyl 3-amino-4-(4-chlorobenzene-1-sulfonyl)thiophene-2-carboxylate;3-Amino-4-[(4-chlorophenyl)sulfonyl]thiophene-2-carboxylic acid methyl ester

Chemical Property of Methyl 3-amino-4-(4-chlorophenyl)sulfonylthiophene-2-carboxylate

Chemical Property:

• PSA: 123.08000
• LogP: 4.26510
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 330.9739778
• Heavy Atom Count: 20
• Complexity: 457

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CS1)S(=O)(=O)C2=CC=C(C=C2)Cl)N

Technology Process of Methyl 3-amino-4-(4-chlorophenyl)sulfonylthiophene-2-carboxylate

There total 1 articles about Methyl 3-amino-4-(4-chlorophenyl)sulfonylthiophene-2-carboxylate 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: 63.0%

2-p-Chlorphenylsulfonyl-3-ethoxyacrylnitril (32083-27-5) + Methyl thioglycolate (2365-48-2) → methyl 3-amino-4-(4-chlorophenylsulfony)l-2-thiophenecarboxylate (175137-53-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 75 - 80 ℃; for 2h;

DOI:10.1002/jhet.5570360314

Reference yield: 97.0%

methyl 3-amino-4-(4-chlorophenylsulfony)l-2-thiophenecarboxylate (175137-53-8) → 3-amino-4-(4-chlorophenylsulfonyl)-2-thiophenecarboxylic acid (175201-47-5)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 100 ℃;

DOI:10.1002/jhet.5570360314

Reference yield:

methyl 3-amino-4-(4-chlorophenylsulfony)l-2-thiophenecarboxylate (175137-53-8) → 4-(4-chloro-benzenesulfonyl)-thiophen-3-ylamine (175201-48-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / 5N aq. NaOH / dioxane / 100 °C

2: 210 - 215 °C

With sodium hydroxide; In 1,4-dioxane;

DOI:10.1002/jhet.5570360314

upstream raw materials:

2-p-Chlorphenylsulfonyl-3-ethoxyacrylnitril

Methyl thioglycolate

Downstream raw materials:

3-amino-4-(4-chlorophenylsulfonyl)-2-thiophenecarboxylic acid

4-(4-chloro-benzenesulfonyl)-thiophen-3-ylamine