6,6-Bis(phenylsulfanyl)bicyclo[3.1.0]hexane

Base Information

• Chemical Name: 6,6-Bis(phenylsulfanyl)bicyclo[3.1.0]hexane
• CAS No.: 83711-04-0
• Molecular Formula: C18H18S2
• Molecular Weight: 298.473
• DSSTox Substance ID: DTXSID60516031
• Mol file: 83711-04-0.mol

Synonyms:6,6-Bis(phenylsulfanyl)bicyclo[3.1.0]hexane;83711-04-0;DTXSID60516031

Chemical Property of 6,6-Bis(phenylsulfanyl)bicyclo[3.1.0]hexane

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 298.08499292
• Heavy Atom Count: 20
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(C1)C2(SC3=CC=CC=C3)SC4=CC=CC=C4

Technology Process of 6,6-Bis(phenylsulfanyl)bicyclo[3.1.0]hexane

There total 11 articles about 6,6-Bis(phenylsulfanyl)bicyclo[3.1.0]hexane 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: 58.0%

Cyclopentene oxide (285-67-6) + bis(phenylthio)methane (3561-67-9) → 6,6-bis(phenylthio)bicyclo<3.1.0>hexane (83711-04-0)

Guidance literature:

With methyllithium;

DOI:10.1021/ja00389a042

Reference yield: 48.1%

1,1,6,6-tetrakis(phenylthio)hexane (70871-25-9) → 6,6-bis(phenylthio)bicyclo<3.1.0>hexane (83711-04-0)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; at -45 ℃; for 1h;

DOI:10.1021/ja00389a042

Reference yield: 34.9%

1,1,1,6,6,6-hexakis(phenylthio)hexane (83711-09-5) → 6,6-bis(phenylthio)bicyclo<3.1.0>hexane (83711-04-0)

Guidance literature:

With sec.-butyllithium; In tetrahydrofuran; cyclohexane; 1.) -45 deg C, 1 h, 2.) 0 deg C, 5 h;

DOI:10.1021/ja00389a042

upstream raw materials:

Cyclopentene oxide

bis(phenylthio)methane

1,1,6,6-tetrakis(phenylthio)hexane

1,1-bis(phenylthio)-6,6-bis-((p-tertbutylphenyl)thio)hexane

Downstream raw materials:

6-(phenylthio)-6-(trimethylsilyl)bicyclo<3.1.0>hexane