Phosphonothioic acid, O,O-diethyl ester

Base Information

• Chemical Name: Phosphonothioic acid, O,O-diethyl ester
• CAS No.: 999-01-9
• Molecular Formula: C4H11 O2 P S
• Molecular Weight: 154.17
• European Community (EC) Number: 213-654-9
• UNII: BYW485QH92
• DSSTox Substance ID: DTXSID0073245
• Wikidata: Q82001613
• Mol file: 999-01-9.mol

Synonyms:O,O-Diethyl phosphonothioate;Phosphonothioic acid, O,O-diethyl ester;O,O-Diethyl thiophosphonate;999-01-9;diethyl thiophosphite;EINECS 213-654-9;BYW485QH92;diethoxy(sulfanylidene)phosphanium;diethyl thiophosphonate;UNII-BYW485QH92;C4H11O2PS;SCHEMBL6550893;DTXSID0073245;AKOS006271578;LS-107053

Chemical Property of Phosphonothioic acid, O,O-diethyl ester

Chemical Property:

• Vapor Pressure: 3.032mmHg at 25°C
• Boiling Point: 160.943°C at 760 mmHg
• Flash Point: 51.137°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 153.01391273
• Heavy Atom Count: 8
• Complexity: 68.4

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCO[P+](=S)OCC

Technology Process of Phosphonothioic acid, O,O-diethyl ester

There total 22 articles about Phosphonothioic acid, O,O-diethyl ester 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: 95.0%

phosphonic acid diethyl ester (762-04-9) → O,O'-diethyl thiophosphonate (999-01-9)

Guidance literature:

With Lawessons reagent; Heating;

DOI:10.1002/ejoc.200500907

Reference yield: 77.0%

diethyl phosphorylchloridite (589-57-1) + tiolacetic acid (507-09-5) → O,O'-diethyl thiophosphonate (999-01-9)

Guidance literature:

at 0 - 20 ℃;

Reference yield: 70.0%

ethyl ester of ethylphenylthiophosphinic acid (6587-98-0,62621-04-9,62621-07-2) + O,O-Diethyl hydrogen phosphorodithioate (298-06-6) → O,O'-diethyl thiophosphonate (999-01-9) + 1,1-diethoxy-2-ethyl-2-phenyldiphosphine 1-sulfide + mixed thioanhydride of O,O-diethyl hydrogen phosphorodithioate and ethylphenylphosphinothious acid (79227-42-2) + ethanethiol (75-08-1)

Guidance literature:

for 8h; under 15 Torr; Further byproducts given;

upstream raw materials:

diethyl phosphorylchloridite

phosphonic acid diethyl ester

diethyl phosphorochloridothioate

S-acetyl O,O-diethyl phosphorothioite

Downstream raw materials:

dithiophosphoric acid O,O'-diethyl ester-S-(3-nitro-phenyl ester)

Dithiophosphorsaeure-O,O-diethyl-S-(4-nitrophenyl)-ester

(1-methyl-3-oxo-cyclohexyl)-thiophosphonic acid O,O'-diethyl ester

diethyl phosphorochloridothioate

Refernces

• 1、 -. "Synthetic method of methyl phosphite and glufosinate-ammonium". Paragraph 0029. . Retrieved 2016/11/07.
• 2、 Pignard, Sebastien,Lopin, Chrystel,Gouhier, Geraldine,Piettre, Serge R.. "Phosphonodifluoromethyl and phosphonothiodifluoromethyl radicals. Generation and addition onto alkenes and alkynes". . p. 31 - 37. Retrieved 2007/10/03.