Methyl 5-(Chlorosulfonyl)-4-methylthiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 5-(Chlorosulfonyl)-4-methylthiophene-2-carboxylate
• CAS No.: 423768-46-1
• Molecular Formula: C7H7 Cl O4 S2
• Molecular Weight: 254.715
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20381560
• Wikidata: Q82172454
• Mol file: 423768-46-1.mol

Synonyms:423768-46-1;Methyl 5-(Chlorosulfonyl)-4-methylthiophene-2-carboxylate;methyl 5-chlorosulfonyl-4-methylthiophene-2-carboxylate;2-Thiophenecarboxylicacid, 5-(chlorosulfonyl)-4-methyl-, methyl ester;methyl 5-(chlorosulfonyl)-4-methyl-2-thiophenecarboxylate;SCHEMBL2305822;DTXSID20381560;MFCD03407367;AKOS007930855;MS-22180;CS-0323214;FT-0628671;Methyl5-(Chlorosulfonyl)-4-methylthiophene-2-carboxylate;2-Thiophenecarboxylicacid,5-(chlorosulfonyl)-4-methyl-,methyl ester;methyl 5-(chlorosulfonyl)-4-methyl-2-thiophenecarboxylate, AldrichCPR

Chemical Property of Methyl 5-(Chlorosulfonyl)-4-methylthiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 4.31E-06mmHg at 25°C
• Melting Point: 38.1oC
• Boiling Point: 38-40oC
• Flash Point: 185.9oC
• PSA: 97.06000
• Density: 1.5g/cm3
• LogP: 2.85140
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 253.9474287
• Heavy Atom Count: 14
• Complexity: 321

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 5-(chlorosulfonyl)-4-methyl-2-thiophenecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C:Corrosive
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=C1)C(=O)OC)S(=O)(=O)Cl

Technology Process of Methyl 5-(Chlorosulfonyl)-4-methylthiophene-2-carboxylate

There total 1 articles about Methyl 5-(Chlorosulfonyl)-4-methylthiophene-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: 49.0%

4-methyl-thiophene-2-carboxylic acid methyl ester (28686-90-0) → 5-chlorosulfonyl-4-methyl-2-thiophene carboxylic acid methyl ester (423768-46-1)

Guidance literature:

With chlorosulfonic acid; at 20 ℃; for 4h; Cooling with ice;

Reference yield: 76.0%

5-chlorosulfonyl-4-methyl-2-thiophene carboxylic acid methyl ester (423768-46-1) + 2,6-di-tert-butyl-4-{4-[3,5-di-tert-butyl-4-(3-hydroxypropoxy)phenylsulfanyl]-piperidin-4-ylsulfanyl}phenol (1402047-98-6) → 5-{4-(3,5-di-tert-butyl-4-hydroxyphenylsulfanyl)-4-[3,5-di-tert-butyl-4-(3-hydroxypropoxy)phenylsulfanyl]piperidine-1-sulfonyl}-4-methyl-thiophene-2-carboxylic acid methyl ester (1402049-56-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield: 22.0%

5-chlorosulfonyl-4-methyl-2-thiophene carboxylic acid methyl ester (423768-46-1) + 3-amino-4-chlorobenzotrifluoride (121-50-6) → C14H11ClF3NO4S2

Guidance literature:

With pyridine; In dichloromethane; at 60 ℃;

DOI:10.1016/j.bmcl.2019.06.008

upstream raw materials:

4-methyl-thiophene-2-carboxylic acid methyl ester

Downstream raw materials:

5-{4-(3,5-di-tert-butyl-4-hydroxyphenylsulfanyl)-4-[3,5-di-tert-butyl-4-(3-hydroxypropoxy)phenylsulfanyl]piperidine-1-sulfonyl}-4-methyl-thiophene-2-carboxylic acid methyl ester

5-{4-(3,5-di-tert-butyl-4-hydroxyphenylsulfanyl)-4-[3,5-di-tert-butyl-4-(3-hydroxypropoxy)phenylsulfanyl]piperidine-1-sulfonyl}-4-methyl-thiophene-2-carboxylic acid

Refernces