O-Ethyl S-propyl chlorothiophosphate

Base Information

• Chemical Name: O-Ethyl S-propyl chlorothiophosphate
• CAS No.: 7651-98-1
• Molecular Formula: C5H12ClO2PS
• Molecular Weight: 202.642
• DSSTox Substance ID: DTXSID00997885
• Nikkaji Number: J243.079G
• Mol file: 7651-98-1.mol

Synonyms:O-Ethyl S-propyl chlorothiophosphate;7651-98-1;Phosphorochloridothioic acid, O-ethyl S-propyl ester;O-ethyl S-propyl phosphorochloridothioate;SCHEMBL9074042;DTXSID00997885;SGPBCSBJSUYISS-UHFFFAOYSA-N;O-ethyl S-n-propyl phosphorochloridothioate

Chemical Property of O-Ethyl S-propyl chlorothiophosphate

Chemical Property:

• PSA: 61.41000
• LogP: 3.51300
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 201.9984155
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSP(=O)(OCC)Cl

Technology Process of O-Ethyl S-propyl chlorothiophosphate

There total 2 articles about O-Ethyl S-propyl chlorothiophosphate 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: 77.4%

O,O-diethyl-S-n-propyl phosporothiolate (20195-06-6) → ethyl phosphodichloridite (1498-51-7) + O-ethyl-S-propyl phosphorochloridate (7651-98-1)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 5h;

DOI:10.1080/10426509808029665

Reference yield:

S-propyl phosphorodichloridothioate (18281-78-2) → triethylamine hydrochloride (554-68-7) + O-ethyl-S-propyl phosphorochloridate (7651-98-1)

Guidance literature:

In toluene;

Reference yield: 99.9%

2-(cyanoimino)-1-ethylimidazolidine + O-ethyl-S-propyl phosphorochloridate (7651-98-1) → O-ethyl S-propyl (E)-[2-(cyanoimino)-3-ethylimidazolidin-1-yl]phosphonothioate (140163-89-9)

Guidance literature:

2-(cyanoimino)-1-ethylimidazolidine; With sodium hydroxide; In toluene; at 20 ℃; for 1.5h; Reflux; Dean-Stark;

O-ethyl-S-propyl phosphorochloridate; In toluene; at -10 - 20 ℃; for 5.5h; Reagent/catalyst; Dean-Stark;

upstream raw materials:

O,O-diethyl-S-n-propyl phosporothiolate

S-propyl phosphorodichloridothioate

Downstream raw materials:

Thiophosphoric acid O-(2-acetyl-phenyl) ester O'-ethyl ester S-propyl ester

O-ethyl-S-n-propyl-O-[2-formylphenyl]thiophosphate

4-(Ethoxy-propylsulfanyl-phosphoryloxy)-benzoic acid ethyl ester

Thiophosphoric acid O-(2-sec-butyl-phenyl) ester O'-ethyl ester S-propyl ester

Refernces

• 1、 -. "Production of phosphoro chloride thiolates". . . Retrieved 2008/06/13.