1-Methyl 2-sulfopalmitate

Base Information

• Chemical Name: 1-Methyl 2-sulfopalmitate
• CAS No.: 58849-75-5
• Molecular Formula: C17H34 O5 S
• Molecular Weight: 350.52
• European Community (EC) Number: 261-470-2
• DSSTox Substance ID: DTXSID50863304
• Nikkaji Number: J23.364A
• Mol file: 58849-75-5.mol

Synonyms:1-Methyl 2-sulfopalmitate;58849-75-5;Methyl palmitate alpha-sulfonic acid;Hexadecanoic acid, 2-sulfo-, 1-methyl ester;EINECS 261-470-2;1-Methoxy-1-oxohexadecane-2-sulphonic acid;methyl a-sulfopalmitate;SCHEMBL2760851;C17H34O5S;DTXSID50863304;C17-H34-O5-S;2-Sulfohexadecanoic acid 1-methyl ester

Chemical Property of 1-Methyl 2-sulfopalmitate

Chemical Property:

• PSA: 89.05000
• Density: 1.057g/cm³
• LogP: 5.58780
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 350.21269535
• Heavy Atom Count: 23
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O

Technology Process of 1-Methyl 2-sulfopalmitate

There total 3 articles about 1-Methyl 2-sulfopalmitate 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:

1-hexadecylcarboxylic acid (57-10-3) → 1-methoxycarbonyl-pentadecane-1-sulfonic acid (58849-75-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrachloroethylene; sulfur trioxide

2: toluene / Entfernen des entstehenden Wassers

With 1,1,2,2-tetrachloroethylene; sulfur trioxide; toluene;

DOI:10.1021/ja01115a528

Reference yield:

methanol (67-56-1) + 2-sulfo-hexadecanoic acid (1782-10-1) → 1-methoxycarbonyl-pentadecane-1-sulfonic acid (58849-75-5)

Guidance literature:

With toluene; Entfernen des entstehenden Wassers;

DOI:10.1021/ja01115a528

Reference yield:

methanol (67-56-1) → 1-methoxycarbonyl-pentadecane-1-sulfonic acid (58849-75-5)

Guidance literature:

at 180 ℃;

upstream raw materials:

methanol

2-sulfo-hexadecanoic acid

1-hexadecylcarboxylic acid

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