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CS-W001157 4
Total: USD 88.00

4,4-Diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile

  • CAS No. 80721-13-7

  • Cat. No. CS-0234404
  • Molecule weight219.24
  • Purity≥95%
  • MDL No.None

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

4,4-Diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile|CS-0234404

Structure of 80721-13-7

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General Information

  • CAS No. 80721-13-7
  • Cat. No. CS-0234404
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N₃O₂
  • Molecular Weight 219.24
  • Synonym(s) Carbamic acid,2,2-diethyltrimethylene ester
  • SMILES CCC1(C(C(NC(C1C#N)=O)=O)C#N)CC

Synthesis

  • Route1
    • null|null
      868-04-2
    • null|null
      107-91-5
    • ~%
    • 4,4-Diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile|CS-0234404
      80721-13-7

    References

    • Holder, Richard W.; Daub, John P.; Baker, Wesley E.; Gilbert, Raymond H; Graf, Norman A. Journal of Organic Chemistry, 1982 , vol. 47, # 8 p. 1445 - 1451
  • Route2
    • null|null
      105-56-6
    • null|null
      96-22-0
    • ~%
    • 4,4-Diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile|CS-0234404
      80721-13-7

    References

    • Birch; Kon Journal of the Chemical Society, 1923 , vol. 123, p. 2447 Full Text Show Details Deshapande; Thorpe Journal of the Chemical Society, 1922 , vol. 121, p. 1438
  • Route3
    • null|null
      105-56-6
    • null|null
      96-22-0
    • ~%
    • 4,4-Diethyl-2,6-dioxopiperidine-3,5-dicarbonitrile|CS-0234404
      80721-13-7
    • null|null
      107-91-5

    References

    • Peano Chem. Zentralbl., 1901 , vol. 72, # I p. 582

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   93.75
  • LogP   0.72876
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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