1,4-Dithiaspiro[4.11]hexadecane

Base Information

• Chemical Name: 1,4-Dithiaspiro[4.11]hexadecane
• CAS No.: 16775-67-0
• Molecular Formula: C14H26 S2
• Molecular Weight: 258.492
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90474175
• Nikkaji Number: J303.189F
• Wikidata: Q82304008
• Mol file: 16775-67-0.mol

Synonyms:1,4-dithiaspiro[4.11]hexadecane;16775-67-0;1,4-DITHIASPIRO(4,11)-HEXADECANE;DTXSID90474175;1,4-dithiaspiro[4.11]hexadecan

Chemical Property of 1,4-Dithiaspiro[4.11]hexadecane

Chemical Property:

• PSA: 50.60000
• LogP: 5.46740
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 258.14759318
• Heavy Atom Count: 16
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCCCC2(CCCCC1)SCCS2

Technology Process of 1,4-Dithiaspiro[4.11]hexadecane

There total 5 articles about 1,4-Dithiaspiro[4.11]hexadecane 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: 99.0%

ethane-1,2-dithiol (540-63-6) + cyclododecanone (830-13-7) → 1,4-dithiaspiro<4.11>hexadecane (16775-67-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; Heating;

DOI:10.1021/ja00530a043

Reference yield: 95.0%

1-t-butyldimethylsilyloxy-cyclododec-1-ene (68081-20-9) + ethane-1,2-dithiol (540-63-6) → 1,4-dithiaspiro<4.11>hexadecane (16775-67-0)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at -78 ℃; for 4h;

DOI:10.1016/S0040-4039(02)02855-1

Reference yield: 84.0%

1,4-oxathiaspiro<4.11>hexadecane (70015-94-0) + ethane-1,2-dithiol (540-63-6) → 1,4-dithiaspiro<4.11>hexadecane (16775-67-0)

Guidance literature:

With Envirocat EPZ₁₀^R; In dichloromethane; for 4h; Heating;

DOI:10.1039/a800864g

upstream raw materials:

ethane-1,2-dithiol

cyclododecanone

1,4-oxathiaspiro<4.11>hexadecane

cyclododecane

Downstream raw materials:

difluorocyclododecane

cyclododecyl mercaptane

cyclododecanone