Cas no 108914-80-3 (Phosphonic acid, (1-cyano-1-methylethyl)-, diethyl ester)

Phosphonic acid, (1-cyano-1-methylethyl)-, diethyl ester is a specialized organophosphorus compound featuring a cyano-functionalized alkyl group and diethyl phosphonate moiety. Its unique structure imparts reactivity as an intermediate in organic synthesis, particularly in the preparation of phosphonate derivatives and coordination chemistry applications. The presence of both cyano and phosphonate groups enhances its utility in cross-coupling reactions and as a ligand precursor. The diethyl ester functionality improves solubility in organic solvents, facilitating handling in synthetic workflows. This compound is valued for its stability under standard conditions and its role in constructing complex molecular architectures, making it a versatile reagent in fine chemical and pharmaceutical research.
Phosphonic acid, (1-cyano-1-methylethyl)-, diethyl ester structure
108914-80-3 structure
Product Name:Phosphonic acid, (1-cyano-1-methylethyl)-, diethyl ester
CAS No:108914-80-3
MF:C8H16NO3P
MW:205.191303253174
MDL:MFCD31382276
CID:1190493
PubChem ID:13662085
Update Time:2025-11-01

Phosphonic acid, (1-cyano-1-methylethyl)-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, (1-cyano-1-methylethyl)-, diethyl ester
    • AKOS032961417
    • diethyl 2-cyanopropan-2-ylphosphonate
    • 108914-80-3
    • SCHEMBL3363303
    • 2-diethoxyphosphoryl-2-methylpropanenitrile
    • diethyl (2-cyanopropan-2-yl)phosphonate
    • MDL： MFCD31382276
    • Inchi： 1S/C8H16NO3P/c1-5-11-13(10,12-6-2)8(3,4)7-9/h5-6H2,1-4H3
    • InChI Key： BJHQTDZZGKFHOK-UHFFFAOYSA-N
    • SMILES： P(C(C#N)(C)C)(=O)(OCC)OCC

Computed Properties

  • Exact Mass: 205.08678037g/mol
  • Monoisotopic Mass: 205.08678037g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 243
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 59.3?2

Phosphonic acid, (1-cyano-1-methylethyl)-, diethyl ester Pricemore >>

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