Benzyl 4-chlorobenzene-1-carbodithioate

Base Information

• Chemical Name: Benzyl 4-chlorobenzene-1-carbodithioate
• CAS No.: 93179-44-3
• Molecular Formula: C14H11ClS2
• Molecular Weight: 278.826
• DSSTox Substance ID: DTXSID30538225
• Nikkaji Number: J1.445.447K
• Wikidata: Q82413495
• Mol file: 93179-44-3.mol

Synonyms:93179-44-3;Benzyl 4-chlorobenzene-1-carbodithioate;benzyl 4-chlorobenzenecarbodithioate;SCHEMBL7584270;DTXSID30538225

Chemical Property of Benzyl 4-chlorobenzene-1-carbodithioate

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 277.9990704
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyl 4-chlorobenzene-1-carbodithioate

There total 3 articles about Benzyl 4-chlorobenzene-1-carbodithioate 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: 87.0%

phenylmethanethiol (100-53-8) + para-chlorobenzoic acid (74-11-3) → benzyl p-chlorobenzenedithiocarboxylate (93179-44-3)

Guidance literature:

With tetraphosphorus decasulfide; In toluene; at 110 ℃; for 4h;

DOI:10.1021/ol006407q

Reference yield: 66.0%

4-nitro-benzoic acid (62-23-7) → benzyl p-chlorobenzenedithiocarboxylate (93179-44-3)

Guidance literature:

With diphosphorus pentasulfide; benzyl alcohol; In benzene;

Reference yield:

potassium 4-chlorobenzenecarbodithioate (74670-44-3) → benzyl p-chlorobenzenedithiocarboxylate (93179-44-3)

Guidance literature:

for 0.0833333h; Heating;

upstream raw materials:

potassium 4-chlorobenzenecarbodithioate

phenylmethanethiol

para-chlorobenzoic acid

4-nitro-benzoic acid

Downstream raw materials:

bis(4-chlorophenyl)acetylene