Diethyl cyanomethylphosphonate
Diethyl cyanomethylphosphonate
  • CAS No.:2537-48-6
Other grades of this product :
Diethyl cyanomethylphosphonate Basic information
Product Name:Diethyl cyanomethylphosphonate
Synonyms:(Cyanomethyl)diethoxyphosphine oxide;2-(Diethylphosphonyl)acetonitrile;Diethyl cyanomethanephosphonate;Phosphonic acid, (cyanomethyl)-, diethyl ester;Cyanomethylphosphonic acid diethyl ester~Diethyl phosphonoacetonitrile;Diethylcyanomethylphosphonate,98+%;Diethyl (cyanomethyl)phosphonate 98%;LABOTEST-BB LT00233137
CAS:2537-48-6
MF:C6H12NO3P
MW:177.14
EINECS:219-806-0
Product Categories:Pyridines;Wittig Reagents;Phosphorus compounds;Horner-Emmons Reaction;Synthetic Organic Chemistry;Wittig & Horner-Emmons Reaction
Mol File:2537-48-6.mol
Diethyl cyanomethylphosphonate Chemical Properties
Boiling point 101-102 °C0.4 mm Hg(lit.)
density 1.095 g/mL at 25 °C(lit.)
refractive index n20/D 1.434(lit.)
Fp >230 °F
storage temp. Inert atmosphere,2-8°C
solubility Chloroform (Soluble), Methanol (Slightly)
form Liquid
color Clear colorless to light yellow
Specific Gravity1.1261.095
Water Solubility Miscible with water, chloroform, terahydrofuran, ethyl acetate and methylene chloride.
BRN 1772981
InChIKeyKWMBADTWRIGGGG-UHFFFAOYSA-N
CAS DataBase Reference2537-48-6(CAS DataBase Reference)
NIST Chemistry ReferenceDiethyl cyanomethylphosphonate(2537-48-6)
Safety Information
Hazard Codes Xi,Xn,C
Risk Statements 38-36/37/38-20/21/22-34-36/38
Safety Statements 26-28-36/37/39-23-45-27-36/37-9
RIDADR UN 1760 8/PG 2
WGK Germany 3
Hazard Note Irritant
HazardClass 6.1
PackingGroup III
HS Code 29310095
MSDS Information
ProviderLanguage
Diethyl cyanomethylphosphonate English
ACROS English
SigmaAldrich English
ALFA English
Diethyl cyanomethylphosphonate Usage And Synthesis
Chemical Propertiesclear colorless to light yellow liquid
UsesWittig reagent.
UsesDiethyl cyanomethyl phosphonate is used as an intermediate in Horner-Emmons reaction for the synthesis of substituted nitriles and their amide and heterocyclic derivatives. It is known as a modified Wittig reagent used in the preparation of alpha, beta-unsaturated nitriles from ketones or aldehydes like 3-hydroxy-3-methylbutanal. It reacts with epoxides and nitrones to prepare cyano-substituted cyclopropanes and aziridines respectively. It is actively involved in the synthesis of alpha-arylated alkanenitriles via reaction with aryl iodides in presence of CuI.
General DescriptionDiethyl cyanomethylphosphonate is a useful chemical and medical intermediate, which can be used as raw material to synthesize nitrogen-haloamine precursor AEP-ADCT containing triazine-phosphate group

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