3,3-Bis(phenylsulfanyl)cyclobutane-1-carbonitrile

Base Information

• Chemical Name: 3,3-Bis(phenylsulfanyl)cyclobutane-1-carbonitrile
• CAS No.: 91003-30-4
• Molecular Formula: C₁₇H₁₅NS₂
• Molecular Weight: 297.445
• DSSTox Substance ID: DTXSID50535296
• Wikidata: Q82409539
• Mol file: 91003-30-4.mol

Synonyms:91003-30-4;3,3-Bis(phenylsulfanyl)cyclobutane-1-carbonitrile;DTXSID50535296

Chemical Property of 3,3-Bis(phenylsulfanyl)cyclobutane-1-carbonitrile

Chemical Property:

• Boiling Point: 488.6±45.0 °C(Predicted)
• PSA: 74.39000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 5.20088
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 297.06459183
• Heavy Atom Count: 20
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1(SC2=CC=CC=C2)SC3=CC=CC=C3)C#N

Technology Process of 3,3-Bis(phenylsulfanyl)cyclobutane-1-carbonitrile

There total 4 articles about 3,3-Bis(phenylsulfanyl)cyclobutane-1-carbonitrile 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:

3-chlorobicyclobutane-1-carbonitrile (23745-75-7) + sodium thiophenolate (930-69-8) → 3,3-Bis(phenylthio)cyclobutanecarbonitrile (91003-30-4)

Guidance literature:

In 1,2-dimethoxyethane; for 12h; Ambient temperature;

DOI:10.1021/jo00192a008

Reference yield:

sodium thiophenolate (930-69-8) + 3-(Phenylthio)bicyclobutanecarbonitrile (91003-31-5) → 3,3-Bis(phenylthio)cyclobutanecarbonitrile (91003-30-4)

Guidance literature:

In methanol; 1,2-dimethoxyethane; Product distribution; Ambient temperature;

DOI:10.1021/jo00192a008

Reference yield:

3-chlorobicyclobutane-1-carbonitrile (23745-75-7) + sodium thiophenolate (930-69-8) → 3-(Phenylthio)bicyclobutanecarbonitrile (91003-31-5) + 3,3-Bis(phenylthio)cyclobutanecarbonitrile (91003-30-4)

Guidance literature:

In 1,2-dimethoxyethane; Product distribution; Mechanism; Ambient temperature; other concentrations;

DOI:10.1021/jo00192a008

upstream raw materials:

methanol

sodium thiophenolate

3-Bromobicyclobutanecarbonitrile

3-chlorobicyclobutane-1-carbonitrile

Refernces