1-Propanesulfonic acid, methyl ester

Base Information

• Chemical Name: 1-Propanesulfonic acid, methyl ester
• CAS No.: 2697-50-9
• Molecular Formula: C₄H₁₀O₃S
• Molecular Weight: 138.188
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID40181468
• Nikkaji Number: J110.490J
• Wikidata: Q83052095
• Mol file: 2697-50-9.mol

Synonyms:methyl propane-1-sulfonate;2697-50-9;1-PROPANESULFONIC ACID, METHYL ESTER;Methyl 1-propanesulfonate;1-METHOXYSULFONYLPROPANE;BRN 1903617;1-Propanesulfonic acid methyl ester;methylpropanesulfonate;SCHEMBL415726;AMY7723;DTXSID40181468;LS-120968

Chemical Property of 1-Propanesulfonic acid, methyl ester

Chemical Property:

• Vapor Pressure: 0.106mmHg at 25°C
• Boiling Point: 229.2°Cat760mmHg
• Flash Point: 92.4°C
• PSA: 51.75000
• Density: 1.133g/cm³
• LogP: 1.45340
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 138.03506535
• Heavy Atom Count: 8
• Complexity: 130

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCS(=O)(=O)OC

Technology Process of 1-Propanesulfonic acid, methyl ester

There total 7 articles about 1-Propanesulfonic acid, methyl ester 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: 77.0%

propanesulfonic acid (5284-66-2) → Methyl propansulfonat (2697-50-9)

Guidance literature:

With Lewatit SP 120 H form; In dichloromethane; for 4h;

DOI:10.1016/S0040-4039(01)01683-5

Reference yield: 62.0%

methanol (67-56-1) + n-propanesulfonyl chloride (10147-36-1) → Methyl propansulfonat (2697-50-9)

Guidance literature:

With 2,6-dimethylpyridine; sulfuric acid; for 2.5h; Ambient temperature;

DOI:10.1248/cpb.32.1326

Reference yield:

deuteromethanol (1455-13-6) + n-propanesulfonyl chloride (10147-36-1) → α-monodeutero propanesulfonic acid methyl ester (10307-22-9) + Methyl propansulfonat (2697-50-9)

Guidance literature:

triethylamine; In benzene; for 2h; Ambient temperature;

upstream raw materials:

diazomethane

propane

methanol

n-propanesulfonyl chloride

Refernces

• 1、 Vignola, Nicola,Dahmen, Stefan,Enders, Dieter,Br?se, Stefan. "Synthesis of alkyl sulfonates from sulfonic acids or sodium sulfonates using solid-phase bound reagents". . p. 7833 - 7836. Retrieved 2007/10/03.
• 2、 Ninomiya,Kohda,Kawazoe. "Studies on chemical carcinogens and mutagens. XXV. Chemoselectivity of alkyl sulfonates toward 4-(p-nitrobenzyl)pyridine (NBP) in phosphate buffer". . p. 1326 - 1332. Retrieved 2007/10/02.