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CS-W001157 4
Total: USD 88.00

Ethyl2-acetylcyanoacetate

  • CAS No. 634-55-9

  • Cat. No. CS-0151901
  • Purity≥95%
  • MDL No.MFCD00043487

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

Ethyl2-acetylcyanoacetate|CS-0151901

Structure of 634-55-9

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General Information

  • CAS No. 634-55-9
  • Cat. No. CS-0151901
  • Purity ≥95%
  • MDL No. MFCD00043487
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₃
  • Molecular Weight 155.15
  • Synonym(s) Ethyl 2-cyano-3-oxobutanoate
  • SMILES CCOC(=O)C(C#N)C(=O)C

Description

Aminooxy-PEG3-CH2CO2tBu consist of an aminooxy group and a t-butyl ester group. Aminooxy(ONH2) group can be used in bioconjugation. It is reactive with an aldehyde to form an oxime bond. If a reductant is used, it will form a hydroxylamine linkage. The t-butyl protected carboxyl group can be hydrolyzed to form a free acid. Aminooxy compounds are very reactive and sensitive; they cannot be stored for long term. Immediate use (within 1 week) is highly recommended.

Synthesis

  • Route1
    • null|null
      75-36-5
    • null|null
      105-56-6
    • ~90%
    • In-stock
      Ethyl2-acetylcyanoacetate|CS-0151901
      634-55-9

    References

    • Jung, Jae-Chul; Blake Watkins; Avery, Mitchell A. Heterocycles, 2005 , vol. 65, # 1 p. 77 - 94
  • Route2

    References

    • Schenone, Pietro; Fossa, Paola; Menozzi, Giulia Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 2 p. 453 - 457
  • Route3
    • null|null
      506-68-3
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • ~%
    • null|null
      84911-18-2
    • In-stock
      Ethyl2-acetylcyanoacetate|CS-0151901
      634-55-9

    References

    • Journal of the Chinese Chemical Society, , vol. 58, # 3 p. 309 - 318

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.16
  • LogP   0.27828
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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