1-[(Butylsulfanyl)methyl]-4-chlorobenzene

Base Information

• Chemical Name: 1-[(Butylsulfanyl)methyl]-4-chlorobenzene
• CAS No.: 78985-17-8
• Molecular Formula: C11H15ClS
• Molecular Weight: 214.759
• DSSTox Substance ID: DTXSID30508049
• Nikkaji Number: J2.749.287H
• Wikidata: Q82364737
• Mol file: 78985-17-8.mol

Synonyms:78985-17-8;1-[(BUTYLSULFANYL)METHYL]-4-CHLOROBENZENE;SCHEMBL425182;DTXSID30508049

Chemical Property of 1-[(Butylsulfanyl)methyl]-4-chlorobenzene

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 214.0582993
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSCC1=CC=C(C=C1)Cl

Technology Process of 1-[(Butylsulfanyl)methyl]-4-chlorobenzene

There total 4 articles about 1-[(Butylsulfanyl)methyl]-4-chlorobenzene 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: 76.0%

dibutyl disulfide (629-45-8) + 4-chlorobenzaldehyde dimethyl acetal (3395-81-1) → 1-[(butylthio)methyl]-4-chloro-benzene (78985-17-8)

Guidance literature:

With triethylsilane; indium(III) bromide; In toluene; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1002/ejoc.200900566

Reference yield: 6.0%

dibutyl disulfide (629-45-8) + para-Chlorobenzyl alcohol (873-76-7) → 1-[(butylthio)methyl]-4-chloro-benzene (78985-17-8) + iodomethylbenzene (620-05-3)

Guidance literature:

With diphosphorus tetraiodide; In benzene; for 7h; Heating;

DOI:10.1246/cl.1981.267

Reference yield:

n-butanethiol (109-79-5) + para-Chlorobenzyl alcohol (873-76-7) → 1-[(butylthio)methyl]-4-chloro-benzene (78985-17-8)

Guidance literature:

para-Chlorobenzyl alcohol; With iodine; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 20 ℃; for 0.5h;

n-butanethiol; at 20 ℃;

DOI:10.1080/00397910903531854

upstream raw materials:

dibutyl disulfide

para-Chlorobenzyl alcohol

4-chlorobenzaldehyde dimethyl acetal

n-butanethiol