[(4-Chlorobutyl)sulfanyl]benzene

Base Information

• Chemical Name: [(4-Chlorobutyl)sulfanyl]benzene
• CAS No.: 14633-31-9
• Molecular Formula: C10H13ClS
• Molecular Weight: 200.732
• DSSTox Substance ID: DTXSID20518379
• Nikkaji Number: J593.287D
• Wikidata: Q82381038
• Mol file: 14633-31-9.mol

Synonyms:[(4-chlorobutyl)sulfanyl]benzene;14633-31-9;Benzene, [(4-chlorobutyl)thio]-;4-phenylthiobutyl chloride;4-chlorobutyl phenyl sulfide;1-phenylthio-4-chloro-butane;4-chloro-butylsulfanyl-benzene;SCHEMBL3394436;Benzene,[(4-chlorobutyl)thio]-;DTXSID20518379;OMSCMJGUCKTCEA-UHFFFAOYSA-N;AKOS011019413;EN300-674418

Chemical Property of [(4-Chlorobutyl)sulfanyl]benzene

Chemical Property:

• PSA: 25.30000
• LogP: 3.79770
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 200.0426493
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [(4-Chlorobutyl)sulfanyl]benzene

There total 11 articles about [(4-Chlorobutyl)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: 98.0%

4-chlorobutyl bromide (6940-78-9) + thiophenol (108-98-5) → 1-chloro-4-(phenylthio)butane (14633-31-9)

Guidance literature:

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

DOI:10.1021/acs.joc.9b02112

Reference yield: 96.0%

4-chlorobutyl bromide (6940-78-9) + diphenyldisulfane (882-33-7) → 1-chloro-4-(phenylthio)butane (14633-31-9)

Guidance literature:

With borohydride exchange resin; In methanol; for 6h; Ambient temperature;

DOI:10.1021/jo00091a047

Reference yield: 94.0%

1-chloro-4-(phenylsulfinyl)butane (90875-87-9) → 1-chloro-4-(phenylthio)butane (14633-31-9)

Guidance literature:

With 2,2'-bis(1,3,2-benzodioxaborole); In toluene; at 100 ℃; for 8h; chemoselective reaction; Green chemistry;

DOI:10.1002/ejoc.202000222

upstream raw materials:

4-(phenylthio)butan-1-ol

thiophenol

1,4-dichlorobutane

4-chlorobutyl bromide

Downstream raw materials:

1,4-bis-phenylsulfanyl-butane

5-(phenylthio)pentanenitrile

(1,4-Dichloro-butylsulfanyl)-benzene

hex-1-yn-6-yl phenyl sulfide

Refernces

• 1、 Takahashi, Fumiya,Nogi, Keisuke,Yorimitsu, Hideki. "B2cat2-Mediated Reduction of Sulfoxides to Sulfides". supporting information. p. 3009 - 3012. Retrieved 2020/03/25.
• 2、 Jian, Hui,Wang, Qiang,Wang, Wei-Hua,Li, Zhi-Juan,Gu, Cheng-Zhi,Dai, Bin,He, Lin. "". . p. 2876 - 2883. Retrieved 2018/05/08.