Phosphorothioic acid, O,O-diethyl S-isopropyl ester

Base Information

• Chemical Name: Phosphorothioic acid, O,O-diethyl S-isopropyl ester
• CAS No.: 63873-21-2
• Molecular Formula: C7H17 O3 P S
• Molecular Weight: 212.25
• DSSTox Substance ID: DTXSID00213390
• Wikidata: Q83088757
• Mol file: 63873-21-2.mol

Synonyms:BRN 4661204;Phosphorothioic acid, O,O-diethyl S-isopropyl ester;O,O-Diethyl S-isopropyl phosphorothioate;63873-21-2;DTXSID00213390;LS-108643

Chemical Property of Phosphorothioic acid, O,O-diethyl S-isopropyl ester

Chemical Property:

• Vapor Pressure: 0.0457mmHg at 25°C
• Boiling Point: 245.1°Cat760mmHg
• Flash Point: 102°C
• Density: 1.086g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 212.06360257
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)SC(C)C

Technology Process of Phosphorothioic acid, O,O-diethyl S-isopropyl ester

There total 5 articles about Phosphorothioic acid, O,O-diethyl S-isopropyl 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: 68.0%

N,N-dicyclohexyl-O-(1'-methylethyl)isourea (6804-20-2) + O,O'-diethyl thiophosphoric acid (2465-65-8) → O,O-diethyl-O-isopropyl phosphorothionate (63873-23-4) + O,O-diethyl-S-isopropyl phosphorothiolate (63873-21-2)

Guidance literature:

In benzene; Yields of byproduct given; Heating;

DOI:10.1055/s-1986-31592

Reference yield: 65.0%

Thiophosphorsaeure-O,O-diethylester (2465-65-8) + 1,3-dioxoisoindolin-2-yl isobutyrate (1631179-23-1) → O,O-diethyl-S-isopropyl phosphorothiolate (63873-21-2)

Guidance literature:

With potassium hydrogen difluoride; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; In acetonitrile; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.1c02300

Reference yield: 40.0%

isopropyl alcohol (67-63-0,8013-70-5) + O,O'-diethyl thiophosphoric acid (2465-65-8) → O,O-diethyl-O-isopropyl phosphorothionate (63873-23-4) + O,O-diethyl-S-isopropyl phosphorothiolate (63873-21-2)

Guidance literature:

With thiamine diphosphate; diethylazodicarboxylate; In benzene; at 35 - 40 ℃; for 6h;

upstream raw materials:

isopropyl alcohol

O,O'-diethyl thiophosphoric acid

N,N-dicyclohexyl-O-(1'-methylethyl)isourea

toluene-4-sulfonic acid isopropyl ester

Downstream raw materials:

Diethyl phosphate

triethyl phosphate

2-propanesulfonic acid

C₇H₁₇O₆PS