O,O-Diethyl hydrogen thiophosphate

Base Information

• Chemical Name: O,O-Diethyl hydrogen thiophosphate
• CAS No.: 2465-65-8
• Deprecated CAS: 4486-42-4
• Molecular Formula: C4H11 O3 P S
• Molecular Weight: 170.169
• NSC Number: 289411,289407,289404,289403
• UNII: FND2ADQ374
• DSSTox Substance ID: DTXSID9052844
• Nikkaji Number: J80.493B
• Wikidata: Q26840832
• Metabolomics Workbench ID: 37812
• ChEMBL ID: CHEMBL1232328
• Mol file: 2465-65-8.mol

Synonyms:DETP;O,O-diethyl phosphorothioate;O,O-diethyl phosphorothionate;O,O-diethyl phosphorothionate, ammonium salt;O,O-diethyl phosphorothionate, potassium salt;O,O-diethyl phosphorothionate, sodium salt

Chemical Property of O,O-Diethyl hydrogen thiophosphate

Chemical Property:

• Vapor Pressure: 0.0379mmHg at 25°C
• Boiling Point: 212.8°Cat760mmHg
• Flash Point: 82.5°C
• Density: 1.243g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 170.01665238
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(O)OCC

Technology Process of O,O-Diethyl hydrogen thiophosphate

There total 43 articles about O,O-Diethyl hydrogen thiophosphate 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: 65.0%

O-acetoacetyl O,O-diethyl phosphorothioate (74710-67-1) → 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one (771-03-9) + O,O'-diethyl thiophosphoric acid (2465-65-8)

Guidance literature:

at 100 ℃; for 1h;

Reference yield: 53.0%

carbon disulfide (75-15-0,12122-00-8) + phosphonic acid diethyl ester (762-04-9) → Tetraethyl methylenediphosphonate (1660-94-2) + O,O'-diethyl thiophosphoric acid (2465-65-8)

Guidance literature:

phosphonic acid diethyl ester; With sodium hydride; In cyclohexane; at -5 - 20 ℃; Inert atmosphere;

carbon disulfide; In cyclohexane; at 20 ℃; Inert atmosphere;

DOI:10.1080/10426500802715528

Reference yield: 40.0%

O,O′-diethyl S-(3-oxo-1,3-diphenylpropyl) phosphorothioate → Thiophosphorsaeure-O,O-diethylester (2465-65-8) + O,O′-diethyl S-(3-oxo-1,3-diphenylpropyl) phosphorothioate + 1,3-diphenyl-propen-3-one (614-47-1)

Guidance literature:

With 1-[3,5-bis(trifluoromethyl)phenyl]-3-{(S)[(2S,4S,5R)-5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl]-(6-methoxy-4-quinolinyl)methyl}thiourea; sodium hydrogencarbonate; In water; toluene; at 20 ℃; for 24h; Temperature; enantioselective reaction; Catalytic behavior; Resolution of racemate;

DOI:10.1055/s-0036-1588612

upstream raw materials:

dithiophosphoric acid S-tert-butyl ester O,O'-diethyl ester

sodium methylate

chlormephos

O,O-diisopropylphosphorothioic acid

Downstream raw materials:

Thiophosphorsaeure-O,O-diethyl-O-methylester

O,O-diethyl S-methyl phosphorothioate

sulfotep

Thiophosphoric acid O,O'-diethyl ester O''-(2-oxo-1,2-diphenyl-ethyl) ester