For research use only. Not for therapeutic Use.
Diethyl Cyanomethylphosphonate (Cat No.: R046056) is an organophosphorus compound with the formula (EtO)₂P(O)CH₂CN. It appears as a colorless to pale yellow liquid and serves as a key reagent in organic synthesis, particularly in the Horner–Wadsworth–Emmons reaction for generating α,β-unsaturated nitriles. The molecule features a phosphonate ester and a reactive nitrile group, offering versatility in carbon–carbon bond formation. It is widely used in pharmaceutical and agrochemical research for constructing complex molecular frameworks. Proper handling is required due to its potential toxicity and flammability.
| CAS Number | 2537-48-6 |
| Synonyms | P-(Cyanomethyl)phosphonic Acid Diethyl Ester; (Cyanomethyl)diethoxyphosphine Oxide; (Diethoxyphosphinyl)acetonitrile; Diethyl Cyanomethanephosphonate; O,O-Diethyl (Cyanomethyl)phosphonate; NSC 407826; |
| Molecular Formula | C6H12NO3P |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | 2-diethoxyphosphorylacetonitrile |
| InChI | InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3 |
| InChIKey | KWMBADTWRIGGGG-UHFFFAOYSA-N |
| SMILES | CCOP(=O)(CC#N)OCC |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
