S-Benzyl O,O-diethyl phosphorodithioate

Base Information

• Chemical Name: S-Benzyl O,O-diethyl phosphorodithioate
• CAS No.: 13286-37-8
• Molecular Formula: C₁₁H₁₇O₂PS₂
• Molecular Weight: 276.361
• NSC Number: 171180
• DSSTox Substance ID: DTXSID90305576
• Wikidata: Q82052239
• Mol file: 13286-37-8.mol

Synonyms:13286-37-8;S-Benzyl O,O-diethyl phosphorodithioate;NSC171180;DTXSID90305576;NSC-171180;O,O-diethyl S-benzyl phosphorodithioate

Chemical Property of S-Benzyl O,O-diethyl phosphorodithioate

Chemical Property:

• Vapor Pressure: 0.000135mmHg at 25°C
• Boiling Point: 344°Cat760mmHg
• Flash Point: 161.8°C
• Density: 1.199g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 276.04075913
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(OCC)SCC1=CC=CC=C1

Technology Process of S-Benzyl O,O-diethyl phosphorodithioate

There total 7 articles about S-Benzyl O,O-diethyl phosphorodithioate 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: 88.0%

diethyl dithiophosphate ammonium salt (1068-22-0) + benzyl chloride (100-44-7) → S-benzyl O,O-diethyl phosphorodithioate (13286-37-8)

Guidance literature:

With aluminum oxide; for 0.0333333h; microwave irradiation;

DOI:10.1055/s-2004-829176

Reference yield: 82.0%

diethyl dithiophosphate ammonium salt (1068-22-0) + benzyl bromide (100-39-0) → S-benzyl O,O-diethyl phosphorodithioate (13286-37-8)

Guidance literature:

With aluminum oxide; for 0.0333333h; microwave irradiation;

DOI:10.1055/s-2004-829176

Reference yield:

benzyl chloride (100-44-7) + potassium O,O-diethyldithiophosphate (3454-66-8) → S-benzyl O,O-diethyl phosphorodithioate (13286-37-8)

Guidance literature:

With ethanol;

DOI:10.3184/095422903782775181

upstream raw materials:

benzyl chloride

potassium O,O-diethyldithiophosphate

2-Benzyloxy-1,3,2-dioxaphospholan

O,O-Diethyl hydrogen phosphorodithioate