1-Dodecanesulfonic acid, methyl ester

Base Information

• Chemical Name: 1-Dodecanesulfonic acid, methyl ester
• CAS No.: 2374-65-4
• Molecular Formula: C₁₃H₂₈O₃S
• Molecular Weight: 264.43
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID80178413
• Wikidata: Q81985480
• Mol file: 2374-65-4.mol

Synonyms:1-Dodecanesulfonic acid, methyl ester;2374-65-4;Methyl 1-dodecanesulfonate;methyl dodecane-1-sulfonate;METHYL DODECANESULFONATE;SCHEMBL7142815;C13H28O3S;DTXSID80178413

Chemical Property of 1-Dodecanesulfonic acid, methyl ester

Chemical Property:

• Vapor Pressure: 2.28E-05mmHg at 25°C
• Boiling Point: 370.9°Cat760mmHg
• Flash Point: 178.1°C
• PSA: 51.75000
• Density: 0.977g/cm³
• LogP: 4.96430
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 264.17591592
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCS(=O)(=O)OC

Technology Process of 1-Dodecanesulfonic acid, methyl ester

There total 1 articles about 1-Dodecanesulfonic 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + dodecansulfonic acid (1510-16-3) → methyl dodecanesulfonate (2374-65-4)

Guidance literature:

In diethyl ether;

DOI:10.1021/jo01055a031

Reference yield:

N-n-butyl-N-methylamine (110-68-9) + methyl dodecanesulfonate (2374-65-4) → dodecylsulfate (38480-64-7) + N,N-dimethylbutylammonium

Guidance literature:

In ethanol; at 36 ℃; Rate constant; Thermodynamic data; E(a); ΔS(excit.); other temperature;

Reference yield:

methyl dodecanesulfonate (2374-65-4) + N-methylaniline (100-61-8) → N,N-dimethylanilinium (17835-98-2) + dodecylsulfate (38480-64-7)

Guidance literature:

In ethanol; at 36 ℃; Rate constant; Thermodynamic data; E(a); ΔS(excit.); other temperature;

upstream raw materials:

diazomethane

dodecansulfonic acid

Downstream raw materials:

dodecylsulfate

N,N-dimethylanilinium