Dibenzyldithiocarbonate

Base Information

• Chemical Name: Dibenzyldithiocarbonate
• CAS No.: 26504-30-3
• Molecular Formula: C₁₅H₁₄OS₂
• Molecular Weight: 274.408
• DSSTox Substance ID: DTXSID701284575
• Nikkaji Number: J2.409.135J
• Mol file: 26504-30-3.mol

Synonyms:dibenzyldithiocarbonate;SCHEMBL3063093;DTXSID701284575;O,S-Bis(phenylmethyl) carbonodithioate;26504-30-3

Chemical Property of Dibenzyldithiocarbonate

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 274.04860741
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=S)SCC2=CC=CC=C2

Technology Process of Dibenzyldithiocarbonate

There total 3 articles about Dibenzyldithiocarbonate 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: 96.0%

benzyl bromide (100-39-0) + potassium benzylxanthate (2720-79-8) → O,S-dibenzyl dithiocarbonate (26504-30-3)

Guidance literature:

Aliquat 336; In water; at 0 - 2 ℃; for 3h;

DOI:10.1055/s-1981-29371

Reference yield: 92.0%

carbon disulfide (75-15-0,12122-00-8) + benzyl alcohol (100-51-6,185532-71-2) → O,S-dibenzyl dithiocarbonate (26504-30-3)

Guidance literature:

carbon disulfide; With triphenylphosphine; diethylazodicarboxylate; In dimethyl sulfoxide; at 20 ℃;

benzyl alcohol; In dimethyl sulfoxide; at 20 ℃; for 5h;

DOI:10.1016/j.tetlet.2006.10.149

Reference yield:

benzyl chloride (100-44-7) → O,S-dibenzyl dithiocarbonate (26504-30-3)

Guidance literature:

With ethanol;

upstream raw materials:

benzyl bromide

potassium benzylxanthate

benzyl chloride

carbon disulfide

Downstream raw materials:

phenylmethanethiol

dithiocarbonic acid S,S'-dibenzyl ester

dibenzyl sulfide

Refernces

• 1、 Degani, Iacopo,Fochi, Rita,Regondi, Valeria. "Rearrangement of O,S-Dialkyl Dithiocarbonates to S,S-Dialkyl Dithiocarbonates Catalyzed by Tricaprylmethylammonium Chloride". . p. 149 - 151. Retrieved 2007/10/02.