Ethanethioic acid, S-dodecyl ester

Base Information

• Chemical Name: Ethanethioic acid, S-dodecyl ester
• CAS No.: 10478-23-6
• Molecular Formula: C14H28OS
• Molecular Weight: 244.442
• DSSTox Substance ID: DTXSID20460223
• Nikkaji Number: J427.448B
• Wikidata: Q82284207
• Mol file: 10478-23-6.mol

Synonyms:S-dodecyl ethanethioate;Ethanethioic acid, S-dodecyl ester;10478-23-6;SCHEMBL2759893;DTXSID20460223;ethanethioic acid S-dodecyl ester

Chemical Property of Ethanethioic acid, S-dodecyl ester

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 244.18608669
• Heavy Atom Count: 16
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSC(=O)C

Technology Process of Ethanethioic acid, S-dodecyl ester

There total 3 articles about Ethanethioic acid, S-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: 87.0%

1-fluoroethenyl benzoate + 1-dodecylthiol (112-55-0) → S-dodecyl ethanethioate (10478-23-6) + S-(n-dodecyl) benzothioate (86763-30-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2011.07.022

Reference yield: 83.0%

acetic acid (64-19-7,77671-22-8) + 1-dodecylthiol (112-55-0) → dodecane (112-40-3) + S-dodecyl ethanethioate (10478-23-6)

Guidance literature:

With hexacarbonyl molybdenum; at 115 - 120 ℃; for 3h;

DOI:10.1039/c39800000169

Reference yield: 6.0%

1-dodecylthiol (112-55-0) → dodecane (112-40-3) + S-dodecyl ethanethioate (10478-23-6)

Guidance literature:

With hexacarbonyl molybdenum; In acetic acid; at 115 - 120 ℃; for 3h;

DOI:10.1039/c39800000169

upstream raw materials:

acetic acid

1-dodecylthiol

Downstream raw materials:

n-Dodecylthiopalmitat

Dodecylthiolstearat

dodecyl triphenylmethyl sulfide

dodecane

Refernces

• 1、 Saito, Akio,Tojo, Manabu,Yanai, Hikaru,Wada, Fukiko,Nakagawa, Muga,Okada, Midori,Sato, Azusa,Okatani, Rieko,Taguchi, Takeo. "Preparation of (Z)-1-fluoro-1-alkenyl carboxylates, carbonates and carbamates through chromium mediated transformation of dibromofluoromethylcarbinyl esters and the reactivity as double acyl group donors". scheme or table. p. 38 - 51. Retrieved 2012/02/04.