Nonyl 4-methylbenzene-1-sulfonate

Base Information

• Chemical Name: Nonyl 4-methylbenzene-1-sulfonate
• CAS No.: 67334-34-3
• Molecular Formula: C16H26O3S
• Molecular Weight: 298.447
• DSSTox Substance ID: DTXSID60562912
• Wikidata: Q82447210
• Mol file: 67334-34-3.mol

Synonyms:Nonyl 4-methylbenzene-1-sulfonate;67334-34-3;nonyl tosylate;SCHEMBL5015857;DTXSID60562912;EN300-7276774

Chemical Property of Nonyl 4-methylbenzene-1-sulfonate

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 298.16026586
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of Nonyl 4-methylbenzene-1-sulfonate

There total 2 articles about Nonyl 4-methylbenzene-1-sulfonate 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: 89.0%

p-toluenesulfonyl chloride (98-59-9) + nonyl alcohol (143-08-8) → p-toluenesulfonic acid nonyl ester (67334-34-3)

Guidance literature:

With potassium carbonate; 1-hexadecyl-1H-imidazole; In water; at 25 ℃; for 4h;

DOI:10.1021/ol900125y

Reference yield:

→ p-toluenesulfonic acid nonyl ester (67334-34-3)

Guidance literature:

Reference yield: 95.0%

C40H64N8O2S2 (1174513-37-1) + p-toluenesulfonic acid nonyl ester (67334-34-3) → 2C7H7O3S(1-)*C58H102N8O2S2(2+)

Guidance literature:

at 90 - 100 ℃; for 7h;

DOI:10.1016/j.ejmech.2011.05.034

upstream raw materials:

p-toluenesulfonyl chloride

nonyl alcohol

Downstream raw materials:

(All-E)-9-[2-(nonyloxy)phenyl]-3,7-dimethyl-2,4,6,8-nonatetraenoic acid

[Pd(O-p-toluenesulfonyl)(n-nonyl)(P(tert-butyl)2(methyl))2]

(S)-(+)-tridecan-2-ol

tridecan-2-ol

Refernces

• 1、 Timko, Luká?,Fischer-Fodor, Eva,Garajová, Mária,Mrva, Martin,Chereches, Gabriela,Ondriska, Franti?ek,Bukovsky, Marián,Luká?, Milo?,Karlovská, Janka,Kubincová, Janka,Devínsky, Ferdinand. "Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity". . p. 263 - 273. Retrieved 2015/05/26.
• 2、 -. "Process for preparation of oxyglutaric acid ester derivatives". . . Retrieved 2008/06/13.