Benzene, 1-chloro-4-[[(phenylmethyl)thio]methyl]-

Base Information

• Chemical Name: Benzene, 1-chloro-4-[[(phenylmethyl)thio]methyl]-
• CAS No.: 7693-40-5
• Molecular Formula: C14H13ClS
• Molecular Weight: 248.776
• DSSTox Substance ID: DTXSID90452236
• Nikkaji Number: J2.005.822F
• Mol file: 7693-40-5.mol

Synonyms:4-Chlorobenzylbenzyl sulfide;7693-40-5;Benzene, 1-chloro-4-[[(phenylmethyl)thio]methyl]-;SCHEMBL10614200;DTXSID90452236

Chemical Property of Benzene, 1-chloro-4-[[(phenylmethyl)thio]methyl]-

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 248.0426493
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSCC2=CC=C(C=C2)Cl

Technology Process of Benzene, 1-chloro-4-[[(phenylmethyl)thio]methyl]-

There total 9 articles about Benzene, 1-chloro-4-[[(phenylmethyl)thio]methyl]- 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: 95.0%

2-[Benzylsulfanyl-(4-chloro-phenyl)-methylsulfanyl]-pyridine → benzyl 4-chlorobenzyl sulfide (7693-40-5)

Guidance literature:

With acetic acid; zinc;

DOI:10.1055/s-1998-1636

Reference yield: 88.0%

benzyl bromide (100-39-0) + 4-chlorobenzyl bromide (622-95-7) → benzyl 4-chlorobenzyl sulfide (7693-40-5)

Guidance literature:

benzyl bromide; With thiourea; In methanol; Inert atmosphere; Reflux;

With sodium hydroxide; In methanol; Inert atmosphere; Reflux;

4-chlorobenzyl bromide; In methanol; at 20 ℃; Inert atmosphere; Reflux;

DOI:10.3998/ark.5550190.0011.921

Reference yield:

benzyloxy-trimethylsilane (14642-79-6) + C10H15ClSSi → dibenzyl sulfide (538-74-9) + benzyl 4-chlorobenzyl sulfide (7693-40-5) + 1,1’-[thiobis(methylene)]bis[4-chlorobenzene] (23566-23-6)

Guidance literature:

With sulfur; indium (III) iodide; 1,1,3,3-Tetramethyldisiloxane; In dichloromethane; at 80 ℃; for 20h; Inert atmosphere; Sealed tube;

DOI:10.1002/ejoc.201403567

upstream raw materials:

S-benzyl thioacetimidate hydrobromide

1-Chloro-4-(chloromethyl)benzene

4-chlorobenzaldehyde

phenylmethanethiol

Downstream raw materials:

4-chlorobenzyl benzyl sulfone