Benzenesulfonic acid, 4-methyl-, dodecyl ester

Base Information

• Chemical Name: Benzenesulfonic acid, 4-methyl-, dodecyl ester
• CAS No.: 10157-76-3
• Molecular Formula: C19H32O3S
• Molecular Weight: 340.527
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID9064978
• Nikkaji Number: J414.433C
• Wikidata: Q72470401
• Mol file: 10157-76-3.mol

Synonyms:Dodecyl 4-methylbenzenesulfonate;10157-76-3;Dodecyl p-toluenesulfonate;Benzenesulfonic acid, 4-methyl-, dodecyl ester;Dodecylp-toluenesulfonate;AI3-02553;lauryl tosylate;C19H32O3S;1-dodecyl tosylate;SCHEMBL974536;DTXSID9064978;Dodecyl 4-methylbenzenesulfonate #;dodecyl 4-methylbenzene-1-sulfonate;MFCD00041919;AKOS015913777;AS-14729;CS-0158104;FT-0636645;W18714;EN300-12621105

Chemical Property of Benzenesulfonic acid, 4-methyl-, dodecyl ester

Chemical Property:

• Appearance/Colour: Liquid.
• Vapor Pressure: 9.59E-08mmHg at 25°C
• Melting Point: 28.5-31.5 °C
• Refractive Index: 1.493
• Boiling Point: 446.4 °C at 760 mmHg
• Flash Point: 223.8 °C
• PSA: 51.75000
• Density: 1.015 g/cm³
• LogP: 6.70200
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 340.20721605
• Heavy Atom Count: 23
• Complexity: 365

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dodecylp-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenesulfonic acid, 4-methyl-, dodecyl ester

There total 2 articles about Benzenesulfonic acid, 4-methyl-, dodecyl 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: 88.0%

1-dodecyl alcohol (112-53-8) + p-toluenesulfonyl chloride (98-59-9) → dodecyl 4-methylbenzenesulphonate (10157-76-3)

Guidance literature:

With pyridine; at 0 ℃; for 3h;

DOI:10.1021/ja963944q

Reference yield:

→ dodecyl 4-methylbenzenesulphonate (10157-76-3)

Guidance literature:

DOI:10.1007/BF02531870 DOI:10.1055/s-1979-28848

Reference yield: 99.0%

dodecyl 4-methylbenzenesulphonate (10157-76-3) → dodecane (112-40-3)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 67 ℃; Irradiation;

DOI:10.1016/S0040-4039(98)01347-1

upstream raw materials:

1-dodecyl alcohol

p-toluenesulfonyl chloride

Downstream raw materials:

1-dodecyl-pyridinium; toluene-4-sulfonate

butyl dodecyl sulfide

N-dodecyl-toluene-4-sulfonanilide

2-dodecyloxy-4-nitro-benzoic acid

Refernces

• 1、 Pianaro, Adriana,Fox, Eduardo G.P.,Bueno, Odair C.,Marsaioli, Anita J.. "Rapid configuration analysis of the solenopsins". . p. 635 - 642. Retrieved 2012.
• 2、 Huang, Binbin,Guo, Lin,Xia, Wujiong. "A facile and versatile electro-reductive system for hydrodefunctionalization under ambient conditions". supporting information. p. 2095 - 2103. Retrieved 2021/03/26.
• 3、 Bissember, Alex C.,Levina, Anna,Fu, Gregory C.. "A mild, palladium-catalyzed method for the dehydrohalogenation of alkyl bromides: Synthetic and mechanistic studies". supporting information. p. 14232 - 14237. Retrieved 2012/11/06.