Diethyl [chloro(difluoro)methyl]phosphonate

Base Information

• Chemical Name: Diethyl [chloro(difluoro)methyl]phosphonate
• CAS No.: 113161-60-7
• Molecular Formula: C5H10ClF2O3P
• Molecular Weight: 222.556
• DSSTox Substance ID: DTXSID80555987
• Wikidata: Q82437450
• Mol file: 113161-60-7.mol

Synonyms:113161-60-7;Diethyl [chloro(difluoro)methyl]phosphonate;DTXSID80555987;Diethyl (chlorodifluoromethyl)phosphonate

Chemical Property of Diethyl [chloro(difluoro)methyl]phosphonate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 222.0024152
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Diethyl [chloro(difluoro)methyl]phosphonate

There total 2 articles about Diethyl [chloro(difluoro)methyl]phosphonate 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:

phosgene (75-44-5) + [(diethoxyphosphoryl)difluoromethyl]zinc bromide (82845-20-3) → Diethyl difluoromethylphosphonate (1478-53-1) + diethyl (bromodifluoromethyl)phosphonate (65094-22-6) + diethyl 1,1-difluoro-1-chloromethylphosphonate (113161-60-7) + difluoro(diethoxyphosphoryl)acetyl chloride (97480-49-4)

Guidance literature:

In 1,2-dimethoxyethane; toluene; for 17h; Ambient temperature;

DOI:10.1021/jo00242a034

Reference yield:

Dichlorodifluoromethane (75-71-8) + sodium diethyl phosphite (2303-76-6,118080-94-7) → Tetraethyl difluoromethylenediphosphonate (78715-58-9) + diethyl 1,1-difluoro-1-chloromethylphosphonate (113161-60-7)

Guidance literature:

In toluene; 1.) -5 deg C, 1 h, 2.) r.t.,;

DOI:10.1016/0022-328X(88)80339-5

upstream raw materials:

phosgene

[(diethoxyphosphoryl)difluoromethyl]zinc bromide

Dichlorodifluoromethane

sodium diethyl phosphite