3,6,10,13-Tetrathiabicyclo[13.4.0]nonadeca-1(19),15,17-triene

Base Information

• Chemical Name: 3,6,10,13-Tetrathiabicyclo[13.4.0]nonadeca-1(19),15,17-triene
• CAS No.: 25676-64-6
• Molecular Formula: C₁₅H₂₂S₄
• Molecular Weight: 330.604
• Hs Code.: 2934999090
• NSC Number: 175435
• DSSTox Substance ID: DTXSID50306322
• Nikkaji Number: J228.083C
• Wikidata: Q82053363
• Mol file: 25676-64-6.mol

Synonyms:25676-64-6;3,6,10,13-tetrathiabicyclo[13.4.0]nonadeca-1(19),15,17-triene;NSC175435;DTXSID50306322;RNDJWQAWJYUCMJ-UHFFFAOYSA-N;NSC-175435;13,14-benzo-1,4,8,11tetrathiacyclopentadec-13-ene;1,3,4,7,8,10,11,13-Octahydro-6H-2,5,9,12-benzotetrathiacyclopentadecine #

Chemical Property of 3,6,10,13-Tetrathiabicyclo[13.4.0]nonadeca-1(19),15,17-triene

Chemical Property:

• Vapor Pressure: 2.05E-10mmHg at 25°C
• Boiling Point: 520.5°C at 760 mmHg
• Flash Point: 344.3°C
• PSA: 101.20000
• Density: 1.125g/cm³
• LogP: 5.02310
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 330.06043540
• Heavy Atom Count: 19
• Complexity: 200

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCCSCC2=CC=CC=C2CSCCSC1

Technology Process of 3,6,10,13-Tetrathiabicyclo[13.4.0]nonadeca-1(19),15,17-triene

There total 1 articles about 3,6,10,13-Tetrathiabicyclo[13.4.0]nonadeca-1(19),15,17-triene 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: 85.0%

3,7-dithianonane-1,9-dithiol (25676-62-4) + α,α'-dibromo-o-xylene (91-13-4) → 13,14-Benzo-1,4,8,11-Tetrathiacyclopentadecane (25676-64-6)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 45 - 50 ℃;

DOI:10.1021/jo00335a032

Reference yield:

rhodium(III) chloride trihydrate + 13,14-Benzo-1,4,8,11-Tetrathiacyclopentadecane (25676-64-6) → cis-{Rh(TTX)Cl2}Cl*3.5H2O

Guidance literature:

In ethanol; water; with excess C15H22S4;

upstream raw materials:

3,7-dithianonane-1,9-dithiol

α,α'-dibromo-o-xylene

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