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CS-W001157 4
Total: USD 88.00

Methyl 2-cyano-3-oxobutanoate

  • CAS No. 3288-52-6

  • Cat. No. CS-0187473
  • Purity≥96%
  • MDL No.None

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

Methyl 2-cyano-3-oxobutanoate|CS-0187473

Structure of 3288-52-6

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General Information

  • CAS No. 3288-52-6
  • Cat. No. CS-0187473
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₃
  • Molecular Weight 141.12
  • Synonym(s) Butanoic acid, 2-cyano-3-oxo-, methyl ester
  • SMILES CC(=O)C(C#N)C(=O)OC

Synthesis

  • Route1
    • null|null
      143-33-9
    • In-stock
      Methyl acetylacetate|CS-0017265
      105-45-3
    • ~60%
    • In-stock
      Methyl 2-cyano-3-oxobutanoate|CS-0187473
      3288-52-6

    References

    • Okimoto, Mitsuhiro; Numata, Kaori; Takahashi, Yukio; Hoshi, Masayuki; Tomozawa, Kenta; Shigemoto, Takamasa Synlett, 2005 , # 16 art. no. U22905ST, p. 2507 - 2509
  • Route2
    • null|null
      75-36-5
    • ~%
    • In-stock
      Methyl 2-cyano-3-oxobutanoate|CS-0187473
      3288-52-6

    References

    • Haller; Held Annales de Chimie (Cachan, France), 1889 , vol. <6> 17, p. 222
  • Route3
    • null|null
      67-56-1
    • In-stock
      Benzyl acetoacetate|CS-0071955
      5396-89-4
    • null|null
      143-33-9
    • ~60%
    • In-stock
      Methyl 2-cyano-3-oxobutanoate|CS-0187473
      3288-52-6

    References

    • Okimoto, Mitsuhiro; Numata, Kaori; Takahashi, Yukio; Hoshi, Masayuki; Tomozawa, Kenta; Shigemoto, Takamasa Synlett, 2005 , # 16 art. no. U22905ST, p. 2507 - 2509

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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   67.16
  • LogP   -0.11182
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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