O,S-Diethyl methylphosphonothioate

Base Information

• Chemical Name: O,S-Diethyl methylphosphonothioate
• CAS No.: 2511-10-6
• Molecular Formula: C5H13 O2 P S
• Molecular Weight: 168.197
• European Community (EC) Number: 631-032-9
• DSSTox Substance ID: DTXSID40870981
• Nikkaji Number: J131.870E
• Mol file: 2511-10-6.mol

Synonyms:O,S-DIETHYL METHYLPHOSPHONOTHIOATE;2511-10-6;O,S-Diethyl methylthiophosphonate;Methylphosphonothioic acid O,S-diethyl ester;LG 61;1-[ethylsulfanyl(methyl)phosphoryl]oxyethane;OSDMP;Phosphonothioic acid, P-methyl-, O,S-diethyl ester;Phosphonothioic acid, methyl-, O,S-diethyl ester;BRN 1753418;o-Ethyl S-ethyl methylphosphonothioate;Phosphonothioic acid,P-methyl-, O,S-diethyl ester;SCHEMBL1970317;DTXSID40870981;MFCD01705977;ethyl (ethylsulfanyl)(methyl)phosphinate;LS-107135;Phosphonothioic acid, methyl, diethyl ester;FT-0666773;O,S-DIETHYL METHYLPHOSPHONOTHIOIC ACID;Phosphonothioic acid,p-methyl-,o,s-diethyl ester;4-04-00-03515 (Beilstein Handbook Reference)

Chemical Property of O,S-Diethyl methylphosphonothioate

Chemical Property:

• Vapor Pressure: 0.315mmHg at 25°C
• Melting Point: -8.2°C
• Refractive Index: 1.4740
• Boiling Point: 208°Cat760mmHg
• Flash Point: 79.6°C
• PSA: 61.41000
• Density: 1.081g/cm³
• LogP: 2.59890
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: Immiscible with water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.03738782
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

O,S-DiethylMethylphosphonothioate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C)SCC
• Uses: An inhibitor of cholinesterase. O,S-Diethyl methylphosphonothioate is used as an inhibitor of cholinesterase. It is also used in pharmaceuticals, intermediates and fine chemicals. It also serves as phosphorylating and phosphitylating agents.

Technology Process of O,S-Diethyl methylphosphonothioate

There total 10 articles about O,S-Diethyl methylphosphonothioate 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: 90.0%

Na salt of O-ethylmethylthiophosphonic acid (22307-81-9) + ethyl iodide (75-03-6) → O,S-diethyl methylphosphonothionate (2511-10-6)

Guidance literature:

In toluene; for 4h; Reflux;

Reference yield:

ethyl methylphosphonochloridate (5284-09-3) + ethanethiol (75-08-1) → O,S-diethyl methylphosphonothionate (2511-10-6)

Guidance literature:

With triethylamine;

DOI:10.1039/jr9610003067

Reference yield:

O,O-diethyl methanephosphonothionate (6996-81-2) → O,S-diethyl methylphosphonothionate (2511-10-6)

Guidance literature:

With ethyl bromide; at 150 ℃;

upstream raw materials:

ethyl methylphosphonochloridate

sodium thioethylate

O,O-diethyl methanephosphonothionate

Diethyl disulfide

Downstream raw materials:

S-ethyl methylphosphonochloridothioate

ethyl phosphodichloridite

ethyl methylphosphonic acid

methylphosphonothioic acid

Refernces

• 1、 Singh, Ravindra,Gutch,Acharya,Prabha. "Detoxification of O, S-diethyl methyl phosphonothiolate (OSDEMP), a simulant of VX, by N, N-dichlorourethane as an effective decontaminating agent". experimental part. p. 1504 - 1509. Retrieved 2011/12/02.