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CS-W001157 4
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Methyl 3-cyano-2-oxo-3-phenylpropanoate

  • CAS No. 397887-10-4

  • Cat. No. CS-0127215
  • Purity≥98%
  • MDL No.MFCD02671804

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

Methyl 3-cyano-2-oxo-3-phenylpropanoate|CS-0127215

Structure of 397887-10-4

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General Information

  • CAS No. 397887-10-4
  • Cat. No. CS-0127215
  • Purity ≥98%
  • MDL No. MFCD02671804
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₃
  • Molecular Weight 203.19
  • Synonym(s) 3-CYANO-2-OXO-3-PHENYL-PROPIONIC ACID METHYL ESTER
  • SMILES O=C(OC)C(C(C#N)C1=CC=CC=C1)=O

Synthesis

  • Route1
    • null|null
      553-90-2
    • null|null
      140-29-4
    • ~%
    • Methyl 3-cyano-2-oxo-3-phenylpropanoate|CS-0127215
      397887-10-4

    References

    • Bougault Chem. Zentralbl., 1915 , vol. 86, # I p. 671
  • Route2
    • null|null
      67-56-1
    • null|null
      140-29-4
    • null|null
      95-92-1
    • ~%
    • Methyl 3-cyano-2-oxo-3-phenylpropanoate|CS-0127215
      397887-10-4

    References

    • Klosa Chemische Berichte, 1952 , vol. 85, p. 229,230

Safety Information

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Computational Chemistry Data

  • TPSA   67.16
  • LogP   1.03588
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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