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CS-W001157 4
Total: USD 88.00

1,3-Diethyl 2,2-bis(2-cyanoethyl)propanedioate

  • CAS No. 1444-05-9

  • Cat. No. CS-0308727
  • Purity95+%
  • MDL No.None

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

1,3-Diethyl 2,2-bis(2-cyanoethyl)propanedioate|CS-0308727

Structure of 1444-05-9

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General Information

  • CAS No. 1444-05-9
  • Cat. No. CS-0308727
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈N₂O₄
  • Molecular Weight 266.29
  • Synonym(s) Diethyl bis(2-cyanoethyl)malonate
  • SMILES CCOC(=O)C(CCC#N)(CCC#N)C(=O)OCC

Synthesis

  • Route1
    • null|null
      107-13-1
    • null|null
      105-53-3
    • ~97%
    • 1,3-Diethyl 2,2-bis(2-cyanoethyl)propanedioate|CS-0308727
      1444-05-9

    References

    • Keithellakpam, Sanjoy; Laitonjam, Warjeet S. Chinese Chemical Letters, 2014 , vol. 25, # 5 p. 767 - 770
  • Route2
    • In-stock
      Benzyltrimethylammonium (hydroxide) (40% in water),40% in water|CS-0529201
      100-85-6
    • null|null
      107-13-1
    • null|null
      105-53-3
    • ~99%
    • 1,3-Diethyl 2,2-bis(2-cyanoethyl)propanedioate|CS-0308727
      1444-05-9

    References

    • The Research Foundation of State University of New York Patent: US5128466 A1, 1992 ;
  • Route3
    • null|null
      542-76-7
    • null|null
      996-82-7
    • ~%
    • 1,3-Diethyl 2,2-bis(2-cyanoethyl)propanedioate|CS-0308727
      1444-05-9

    References

    • Journal of the American Chemical Society, , vol. 72, p. 3699

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   100.18
  • LogP   1.70656
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   8

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