Methyl 5-(chlorosulfonyl)-2-methylfuran-3-carboxylate

Base Information

• Chemical Name: Methyl 5-(chlorosulfonyl)-2-methylfuran-3-carboxylate
• CAS No.: 306936-35-6
• Molecular Formula: C7H7 Cl O5 S
• Molecular Weight: 238.65
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID20371648
• Wikidata: Q82159050
• Mol file: 306936-35-6.mol

Synonyms:306936-35-6;methyl 5-(chlorosulfonyl)-2-methylfuran-3-carboxylate;Methyl 5-(Chlorosulfonyl)-2-Methyl-3-Furoate;methyl 5-chlorosulfonyl-2-methylfuran-3-carboxylate;Methyl 5-(chlorosulphonyl)-2-methyl-3-furoate;Methyl 5-(chlorosulphonyl)-2-methylfuran-3-carboxylate;SCHEMBL856500;DTXSID20371648;MFCD02180742;AKOS006221626;AT17393;SB61442;PS-10867;CS-0206953;FT-0628670;EN300-78500;methyl5-(chlorosulfonyl)-2-methylfuran-3-carboxylate;methyl 5-(chlorosulfonyl)-2-methyl-3-furoate, AldrichCPR;3-Furancarboxylic acid, 5-(chlorosulfonyl)-2-methyl-, methyl ester

Chemical Property of Methyl 5-(chlorosulfonyl)-2-methylfuran-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Melting Point: 26-27°C
• Boiling Point: 335.3°Cat760mmHg
• Flash Point: 156.6°C
• PSA: 81.96000
• Density: 1.463g/cm³
• LogP: 2.38290
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 237.9702722
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

98% ^*data from raw suppliers

Methyl 5-(chlorosulfonyl)-2-methyl-3-furoate 95.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(O1)S(=O)(=O)Cl)C(=O)OC

Technology Process of Methyl 5-(chlorosulfonyl)-2-methylfuran-3-carboxylate

There total 2 articles about Methyl 5-(chlorosulfonyl)-2-methylfuran-3-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:

methyl 2-methyl-3-furancarboxylate (6141-58-8) → methyl 5-(chlorosulfonyl)-2-methylfuran-3-carboxylate (306936-35-6)

Guidance literature:

methyl 2-methyl-3-furancarboxylate; With chlorosulfonic acid; In chloroform; at -10 - 20 ℃; for 48h;

With phosphorus pentachloride; at -10 - 50 ℃; for 0.5h;

Reference yield:

C7H8O6S → methyl 5-(chlorosulfonyl)-2-methylfuran-3-carboxylate (306936-35-6)

Guidance literature:

With pyridine; phosphorus pentachloride; In dichloromethane;

DOI:10.1016/j.bmcl.2008.11.033

Reference yield: 86.0%

methyl 5-(chlorosulfonyl)-2-methylfuran-3-carboxylate (306936-35-6) + 4-bromo-2-aminobenzoic acid piperidine amide (791098-10-7) → 5-[5-bromo-2-(piperidine-1-carbonyl)-phenylsulfamoyl]-2-methyl-furan-3-carboxylic acid methyl ester

Guidance literature:

With pyridine; In dichloromethane;

DOI:10.1016/j.bmcl.2007.09.087

upstream raw materials:

methyl 2-methyl-3-furancarboxylate

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY". Page/Page column 428. . Retrieved 2019/02/13.