Dodecane, 1-(butylthio)-

Base Information

• Chemical Name: Dodecane, 1-(butylthio)-
• CAS No.: 16900-08-6
• Molecular Formula: C16H34S
• Molecular Weight: 258.512
• DSSTox Substance ID: DTXSID80408323
• Nikkaji Number: J3.123.673H
• Wikidata: Q82213773
• Mol file: 16900-08-6.mol

Synonyms:Dodecane, 1-(butylthio)-;BUTYL DODECYL SULFIDE;Dodecylbutylsulfid;16900-08-6;SCHEMBL200096;DTXSID80408323;AKOS024338928

Chemical Property of Dodecane, 1-(butylthio)-

Chemical Property:

• Melting Point: 0.5°C (estimate)
• Refractive Index: 1.4643 (estimate)
• Boiling Point: 311.76°C (estimate)
• PSA: 25.30000
• Density: 0.8430
• LogP: 6.44060
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 258.23812226
• Heavy Atom Count: 17
• Complexity: 123

Purity/Quality:

99.90% ^*data from raw suppliers

BUTYL DODECYL SULFIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSCCCC

Technology Process of Dodecane, 1-(butylthio)-

There total 6 articles about Dodecane, 1-(butylthio)- 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: 81.0%

1-dodecene (112-41-4,25067-08-7,62132-67-6) + n-butanethiol (109-79-5) → butyl dodecyl sulfide (16900-08-6)

Guidance literature:

With methanol; triethyl borane; In hexane; benzene;

DOI:10.1246/cl.1987.1647

Reference yield: 79.0%

1-bromo-butane (109-65-9) + 1-dodecylthiol (112-55-0) → butyl dodecyl sulfide (16900-08-6)

Guidance literature:

With Carbowax 6000; potassium carbonate; at 170 ℃; under 1 Torr;

Reference yield: 78.0%

1,2,4,5-tetrachlorobenzene (95-94-3) + 1-dodecylthiol (112-55-0) → butyl dodecyl sulfide (16900-08-6) + n-Dodecyl disulfide (135202-37-8) + 2,5-Bis(dodecylthio)-1,4-dichlorobenzene (89165-35-5)

Guidance literature:

With potassium hydroxide; tetrabutyl phosphonium bromide; In toluene; at 25 ℃; for 2h;

DOI:10.1021/jo00181a044

upstream raw materials:

n-butanethiol

dodecyl 4-methylbenzenesulphonate

n-Butyl chloride

1-dodecene

Refernces

• 1、 Ichinose, Yoshifumi,Wakamatsu, Kuni,Nozaki, Kyoko,Birbaum, Jean-Luc,Oshima,Koichiro,Utimoto, Kiitiro. "Et3B Induced Radical Addition of Thiols to Acetylenes". . p. 1647 - 1650. Retrieved 2007/10/02.
• 2、 Angeletti, Enrico,Tundo, Pietro,Venturello, Paolo. "Gas-Liquid Phase-transfer Synthesis of Phenyl Ethers and Sulphides with Carbonate as Base and Carbowax as Catalyst". . p. 1137 - 1142. Retrieved 2007/10/02.