Phosphonic acid, (dichloromethyl)-, diethyl ester

Base Information

• Chemical Name: Phosphonic acid, (dichloromethyl)-, diethyl ester
• CAS No.: 3167-62-2
• Molecular Formula: C5H11Cl2O3P
• Molecular Weight: 221.02
• Hs Code.: 2931900090
• European Community (EC) Number: 805-961-7
• DSSTox Substance ID: DTXSID70454692
• Nikkaji Number: J785.958I
• Wikidata: Q82276369
• Mol file: 3167-62-2.mol

Synonyms:Phosphonic acid, (dichloromethyl)-, diethyl ester;3167-62-2;1-[dichloromethyl(ethoxy)phosphoryl]oxyethane;SCHEMBL7066106;DTXSID70454692;XDOKVFJJVSLHDJ-UHFFFAOYSA-N;DIETHYL DICHLOROMETHYLPHOSPHONATE;Dichloromethylphosphonic acid diethyl ester;dichloromethane-phosphonic acid diethyl ester

Chemical Property of Phosphonic acid, (dichloromethyl)-, diethyl ester

Chemical Property:

• Boiling Point: 70 °C(Press: 0.5 Torr)
• PSA: 45.34000
• Density: 1.2808 g/cm3
• LogP: 3.01370
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 219.9822866
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphonic acid, (dichloromethyl)-, diethyl ester

There total 9 articles about Phosphonic acid, (dichloromethyl)-, 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: 84.0%

diethyl (trichloromethyl)phosphonate (866-23-9) + ethanol (64-17-5) + phosphonic acid diethyl ester (762-04-9) → triethyl phosphate (78-40-0) + diethyl (dichloromethyl)phosphonate (3167-62-2)

Guidance literature:

With triethylamine; at 20 ℃;

DOI:10.1080/10426500902719248

Reference yield: 72.0%

morpholine (110-91-8,99108-56-2) + diethoxyphosphoryldichloroacetaldehyde (84336-27-6) → 4-morpholinecarboxaldehyde (4394-85-8) + diethyl (dichloromethyl)phosphonate (3167-62-2)

Guidance literature:

With ethanol; In benzene; at 40 - 60 ℃; for 2h;

DOI:10.1134/S1070363220010132

Reference yield: 53.0%

diethyl (trichloromethyl)phosphonate (866-23-9) → 1-(2,2-dichlorovinyl)-4-methoxybenzene (41448-64-0) + diethyl (dichloromethyl)phosphonate (3167-62-2)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; 4-methoxy-benzaldehyde; In N,N-dimethyl-formamide; Ambient temperature; controlled potential electrolysis; cathode: Hg; electrode ref.: AgI/Ag;

upstream raw materials:

n-butyllithium

(dichloromethylene)bisphosphonic acid, tetraethyl ester

diethyl (trichloromethyl)phosphonate

phenylacetaldehyde

Downstream raw materials:

diethyl chloromethylphosphonate

dichloro-1,1 octene-1

1-(2,2-dichlorovinyl)-4-methoxybenzene

phosphate de diethyle et de paramethoxyphenyl-1 dichloro-2,2 ethyle

Refernces

• 1、 Tue Bi, Balo,Devaud, Marguerite. "PREPARATION ELECTROCHIMIQUE DES CHLOROMETHYL ET DICHLOROMETHYL-PHOSPHONATES DE DIETHYLE". . p. 3799 - 3800. Retrieved 1987.
• 2、 Guseinov,Klimentova,Kol'tsova,Egereva,Moskva. "Intramolecular Nucleophilic Reactions of Dialkyl 1,1-Dichloro-2-hydroxyethylphosphonates". . p. 441 - 443. Retrieved 2007/10/03.