Cyclododecanethiol

Base Information

• Chemical Name: Cyclododecanethiol
• CAS No.: 7447-11-2
• Molecular Formula: C12H24S
• Molecular Weight: 200.389
• European Community (EC) Number: 633-337-2
• DSSTox Substance ID: DTXSID80504859
• Nikkaji Number: J275.971C
• Mol file: 7447-11-2.mol

Synonyms:cyclododecanethiol;7447-11-2;cyclododecanthiol;SCHEMBL3622611;DTXSID80504859;EN300-1288572

Chemical Property of Cyclododecanethiol

Chemical Property:

• PSA: 38.80000
• LogP: 4.58950
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 200.15987194
• Heavy Atom Count: 13
• Complexity: 99.7

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(CCCCC1)S

Technology Process of Cyclododecanethiol

There total 6 articles about Cyclododecanethiol 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: 98.0%

Cyclododecyl-thiolacetat (17359-18-1) → cyclododecyl mercaptane (7447-11-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1002/anie.201910436

Reference yield: 90.0%

1,4-dithiaspiro<4.11>hexadecane (16775-67-0) → cyclododecyl mercaptane (7447-11-2)

Guidance literature:

With n-butyllithium; In diethyl ether; at 25 ℃; for 6h;

DOI:10.1021/ja00530a043

Reference yield:

O-cyclododecyl-S-methyl dithiocarbonate (4373-12-0) → cyclododecyl mercaptane (7447-11-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / Me₃Al / hexane / 15 h / Ambient temperature

2: LAH

With lithium aluminium tetrahydride; trimethylaluminum; In hexane;

DOI:10.1016/0040-4039(96)00339-5

upstream raw materials:

1,4-dithiaspiro<4.11>hexadecane

Dithiocarbonic acid S-cyclododecyl ester S-methyl ester

O-cyclododecyl-S-methyl dithiocarbonate

cyclododecanone

Downstream raw materials:

cyclododecane

2-Cyclododecylsulfanyl-1-phenyl-ethanone

Dimethyl-thiocarbamic acid S-cyclododecyl ester

cyclododecanone