1-(Phenylsulfanyl)cyclohept-1-ene

Base Information

• Chemical Name: 1-(Phenylsulfanyl)cyclohept-1-ene
• CAS No.: 64741-11-3
• Molecular Formula: C13H16S
• Molecular Weight: 204.336
• DSSTox Substance ID: DTXSID80533144
• Nikkaji Number: J336.381C
• Mol file: 64741-11-3.mol

Synonyms:1-(Phenylsulfanyl)cyclohept-1-ene;64741-11-3;DTXSID80533144

Chemical Property of 1-(Phenylsulfanyl)cyclohept-1-ene

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 204.09727168
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC=C(CC1)SC2=CC=CC=C2

Technology Process of 1-(Phenylsulfanyl)cyclohept-1-ene

There total 14 articles about 1-(Phenylsulfanyl)cyclohept-1-ene 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: 93.0%

cycloheptanone (502-42-1) → 1-cycloheptenyl phenyl sulfide (64741-11-3)

Guidance literature:

DOI:10.1016/S0040-4039(01)90031-0

Reference yield: 86.0%

thiophenol (108-98-5) + cycloheptanone (502-42-1) → 1-cycloheptenyl phenyl sulfide (64741-11-3)

Guidance literature:

With Montmorillonite KSF; In toluene; for 48h; Heating;

DOI:10.1021/jo0107047

Reference yield: 83.0%

cyclohept-1-en-1-yl trifluoromethanesulfonate (28075-51-6) + diphenyldisulfane (882-33-7) → 1-cycloheptenyl phenyl sulfide (64741-11-3)

Guidance literature:

With [RhCl₂(p-cymene)]2; 3,4,7,8-Tetramethyl-o-phenanthrolin; zinc; In 1,3-dimethyl-2-imidazolidinone; at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2011.09.145

upstream raw materials:

1-bromocycloheptene

diphenyldisulfane

thiophenol

cycloheptanone

Downstream raw materials:

9,9-Dichloro-1-phenylsulfanyl-bicyclo[5.2.0]nonan-8-one

1-(phenylsulfonyl)-7-bromocycloheptene