Thiobenzoic acid, anhydrosulphide with O,O-diethyl dithiophosphorate

Base Information

• Chemical Name: Thiobenzoic acid, anhydrosulphide with O,O-diethyl dithiophosphorate
• CAS No.: 1497-32-1
• Molecular Formula: C11H15 O3 P S2
• Molecular Weight: 290.344
• European Community (EC) Number: 216-093-8
• UNII: Q9UZ9A868X
• DSSTox Substance ID: DTXSID30164366
• Nikkaji Number: J206.700E
• Wikidata: Q83033449
• Mol file: 1497-32-1.mol

Synonyms:Thiobenzoic acid, anhydrosulphide with O,O-diethyl dithiophosphorate;Q9UZ9A868X;1497-32-1;EINECS 216-093-8;UNII-Q9UZ9A868X;C11H15O3PS2;DTXSID30164366;C11-H15-O3-P-S2;Dithiophosphoric acid O,O-diethyl S-(alpha-oxobenzyl) ester;BENZENECARBOTHIOIC ACID, ANHYDROSULFIDE WITH O,O-DIETHYL HYDROGEN PHOSPHORODITHIOATE

Chemical Property of Thiobenzoic acid, anhydrosulphide with O,O-diethyl dithiophosphorate

Chemical Property:

• Vapor Pressure: 1.38E-05mmHg at 25°C
• Boiling Point: 367.3°C at 760 mmHg
• Flash Point: 175.9°C
• PSA: 102.73000
• Density: 1.266g/cm³
• LogP: 4.50810
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 290.02002368
• Heavy Atom Count: 17
• Complexity: 280

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)SC(=O)C1=CC=CC=C1

Technology Process of Thiobenzoic acid, anhydrosulphide with O,O-diethyl dithiophosphorate

There total 2 articles about Thiobenzoic acid, anhydrosulphide with O,O-diethyl dithiophosphorate 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:

benzoyl chloride (98-88-4) + O,O-Diethyl hydrogen phosphorodithioate (298-06-6) → thiobenzoic acid, anhydrosulfide with O,O-diethyl dithiophosphorate (1497-32-1)

Guidance literature:

With triethylamine; In dichloromethane; Yield given; 1.) 20 deg C, 0.5 h; 2.) 20 deg C, 3 h;

Reference yield:

→ thiobenzoic acid, anhydrosulfide with O,O-diethyl dithiophosphorate (1497-32-1)

Guidance literature:

O,O-Diethyl-dithiophosphorsaeure, Benzoesaeureanhydrid;

Reference yield: 77.0%

thiobenzoic acid, anhydrosulfide with O,O-diethyl dithiophosphorate (1497-32-1) + O,O-Diethyl hydrogen phosphorodithioate (298-06-6) → S-ethyl dithiobenzoate (936-63-0)

Guidance literature:

at 200 ℃; for 0.1h;

DOI:10.1016/S0040-4020(01)96883-8

upstream raw materials:

benzoyl chloride

O,O-Diethyl hydrogen phosphorodithioate

Downstream raw materials:

S-ethyl dithiobenzoate