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CS-W001157 4
Total: USD 88.00

Diethyl (1-cyanoethyl)phosphonate

  • CAS No. 29668-61-9

  • Cat. No. CS-0539551
  • Molecule weight191.16
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Diethyl (1-cyanoethyl)phosphonate|CS-0539551

Structure of 29668-61-9

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General Information

  • CAS No. 29668-61-9
  • Cat. No. CS-0539551
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄NO₃P
  • Molecular Weight 191.16
  • Synonym(s) Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester
  • SMILES CCOP(=O)(C(C)C#N)OCC

Description

Reacant for:Preparation of sphingosine phosphate receptor (S1P) agonists with N-cinnamyl--alanine moietyPreparation of benzyl- and benzoyldimethylaminopyridinones as HIV-1 reverse transcriptase inhibitorsStereoselective preparation of cyano(trifluoromethyl)pentenenitriles via alkylation, followed by elimination reactionSynthesis of [(methylenepiperidinyl) or (methylenepyrrolidinyl)fluorophenyl]oxazolidinone antibacterial agentsHorner-Wadsworth-Emmons olefination

Synthesis

  • Route1
    • null|null
      814-49-3
    • null|null
      107-12-0
    • ~94%
    • Diethyl (1-cyanoethyl)phosphonate|CS-0539551
      29668-61-9

    References

    • Sovdat, Tina; Bassolino, Giovanni; Liebel, Matz; Schnedermann, Christoph; Fletcher, Stephen P.; Kukura, Philipp Journal of the American Chemical Society, 2012 , vol. 134, # 20 p. 8318 - 8320
  • Route2

    References

    • Simon, Joachim R.; Neidlein, Richard Synthesis, 2000 , # 8 p. 1101 - 1108
  • Route3

    References

    • Raggio; Watt The Journal of organic chemistry, 1976 , vol. 41, # 10 p. 1873 - 1875

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   59.32
  • LogP   2.16458
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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