Methyl 3-sulfamoylpropanoate

Base Information

• Chemical Name: Methyl 3-sulfamoylpropanoate
• CAS No.: 15441-08-4
• Molecular Formula: C4H9NO4S
• Molecular Weight: 167.1836
• European Community (EC) Number: 840-029-3
• DSSTox Substance ID: DTXSID00588499
• Wikidata: Q72487449
• Mol file: 15441-08-4.mol

Synonyms:methyl 3-sulfamoylpropanoate;15441-08-4;3-sulfamoyl-propionic acid methyl ester;methyl 3-(aminosulfonyl)propanoate;methyl3-sulfamoylpropanoate;Propanoic acid, 3-(aminosulfonyl)-, methyl ester;SCHEMBL1621069;DTXSID00588499;AMY32109;3-SulfaMoylpropionic acid Methyl ester;AKOS000144804;DB-143127;CS-0093812;D75465;EN300-120615;Z227905612

Chemical Property of Methyl 3-sulfamoylpropanoate

Chemical Property:

• Melting Point: 69℃
• Boiling Point: 312.292 °C at 760 mmHg
• Flash Point: 142.669 °C
• PSA: 94.84000
• Density: 1.362 g/cm³
• LogP: 0.61910
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 167.02522894
• Heavy Atom Count: 10
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

methyl3-sulfamoylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCS(=O)(=O)N

Technology Process of Methyl 3-sulfamoylpropanoate

There total 2 articles about Methyl 3-sulfamoylpropanoate 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: 60.0%

methyl 3-(chlorosulfonyl)propanoate (15441-07-3) → methyl 3-sulfamoylpropanoate (15441-08-4)

Guidance literature:

With ammonia; In diethyl ether; at 0 - 20 ℃; for 1h;

Reference yield:

→ methyl 3-sulfamoylpropanoate (15441-08-4)

Guidance literature:

3-Chlorsulfonyl-propionsaeure-methylester, NH3-Gas;

DOI:10.1021/jo01266a109

Reference yield:

methyl 3-sulfamoylpropanoate (15441-08-4) + tert-butylchlorodiphenylsilane (58479-61-1) → methyl 3-[(tert-butyldiphenylsilyl)sulfamoyl]propanoate

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;

upstream raw materials:

methyl 3-(chlorosulfonyl)propanoate

Downstream raw materials:

3-sulfamoylpropionic acid

Refernces

• 1、 -. "AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES". Paragraph 0201; 0203. . Retrieved 2017/07/14.
• 2、 -. "IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS". Page/Page column 79. . Retrieved 2016/04/09.