Benzene, [(cyclopentylmethyl)thio]-

Base Information

• Chemical Name: Benzene, [(cyclopentylmethyl)thio]-
• CAS No.: 100258-36-4
• Molecular Formula: C12H16S
• Molecular Weight: 192.325
• DSSTox Substance ID: DTXSID40547646
• Wikidata: Q82425981
• Mol file: 100258-36-4.mol

Synonyms:100258-36-4;Benzene, [(cyclopentylmethyl)thio]-;cyclopentylmethylsulfanylbenzene;DTXSID40547646;(Cyclopentylmethyl)(phenyl)sulfane;[(Cyclopentylmethyl)sulfanyl]benzene

Chemical Property of Benzene, [(cyclopentylmethyl)thio]-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 192.09727168
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)CSC2=CC=CC=C2

Technology Process of Benzene, [(cyclopentylmethyl)thio]-

There total 5 articles about Benzene, [(cyclopentylmethyl)thio]- 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: 86.0%

cyclopentylmethylmercury chloride (33631-66-2) → <(phenylthio)methyl>cyclopentane (100258-36-4)

Guidance literature:

With diphenyldisulfane; In benzene; byproducts: PhSHgCl; Irradiation (UV/VIS); nitrogen atmosphere; mercurial and PhSSPh in deoxygenated solvent irradiated (275-W sunlamp, 35-40 °C, 4h);; filtration; solvent removed (vacuum); c-C5H9CH2SPh analysed by (1)H NMR, GLC and GCMS;;

DOI:10.1021/ja00219a030

Reference yield: 76.0%

1-nitromethyl-1-phenylthiocyclopentane (109585-27-5) → <(phenylthio)methyl>cyclopentane (100258-36-4)

Guidance literature:

With triethylsilane; aluminium trichloride; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jo00282a009

Reference yield: 73.0%

diphenyldisulfane (882-33-7) → <(phenylthio)methyl>cyclopentane (100258-36-4)

Guidance literature:

In benzene; at 35 - 40 ℃; for 4h; Irradiation;

DOI:10.1021/ja00219a030

upstream raw materials:

cyclopentylmethyl bromide

sodium thiophenolate

1-nitromethyl-1-phenylthiocyclopentane

cyclopentylmethylmercury chloride