[(5-Chloropentyl)sulfanyl]benzene

Base Information

• Chemical Name: [(5-Chloropentyl)sulfanyl]benzene
• CAS No.: 14633-28-4
• Molecular Formula: C11H15ClS
• Molecular Weight: 214.759
• DSSTox Substance ID: DTXSID70540509
• Wikidata: Q82416545
• Mol file: 14633-28-4.mol

Synonyms:[(5-chloropentyl)sulfanyl]benzene;14633-28-4;5-phenylthiopentyl chloride;SCHEMBL5660852;DTXSID70540509;DMIRMKDYPCXENU-UHFFFAOYSA-N

Chemical Property of [(5-Chloropentyl)sulfanyl]benzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 214.0582993
• Heavy Atom Count: 13
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCCCCCCl

Technology Process of [(5-Chloropentyl)sulfanyl]benzene

There total 7 articles about [(5-Chloropentyl)sulfanyl]benzene 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: 99.0%

1-bromo-5-chloropentane (54512-75-3) + thiophenol (108-98-5) → [(5-chloropentyl)sulfanyl]benzene (14633-28-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1021/acs.joc.9b02112

Reference yield: 86.0%

sulfure de pentamethylene (1613-51-0) + 2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) → [(5-chloropentyl)sulfanyl]benzene (14633-28-4)

Guidance literature:

With potassium fluoride; chloro-trimethyl-silane; 18-crown-6 ether; water; In tetrahydrofuran; for 12h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2018.04.072

Reference yield: 79.0%

sulfure de pentamethylene (1613-51-0) + 2-carboxybenzene diazonium chloride (4661-46-5) → [(5-chloropentyl)sulfanyl]benzene (14633-28-4)

Guidance literature:

In 1,2-dichloro-ethane; for 0.75h; Heating;

DOI:10.1246/cl.1985.677

upstream raw materials:

5-(phenylthio)-1-pentanol

1-bromo-5-chloropentane

thiophenol

1,5-dichloropentane

Downstream raw materials:

(1,5-Dichloro-pentylsulfanyl)-benzene

2-(5-Chloro-1-phenylsulfanyl-pentyl)-cyclopentanone

(cyclopentylsulfonyl)benzene

5-phenylsulfinylpentyl chloride