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CS-W001157 4
Total: USD 88.00

3-Methyl-5-phenylisoxazole-4-carbaldehyde

  • CAS No. 89479-66-3

  • Cat. No. CS-0314460
  • Molecule weight187.19
  • Purity95+%
  • MDL No.None

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

3-Methyl-5-phenylisoxazole-4-carbaldehyde|CS-0314460

Structure of 89479-66-3

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General Information

  • CAS No. 89479-66-3
  • Cat. No. CS-0314460
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight 187.19
  • Synonym(s) 3-Methyl-5-phenyl-isoxazole-4-carbaldehyde
  • SMILES CC1=NOC(=C1C=O)C2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      326818-16-0
    • ~56%
    • 3-Methyl-5-phenylisoxazole-4-carbaldehyde|CS-0314460
      89479-66-3

    References

    • Green, Jeremy; Bemis, Guy; Grillot, Anne-Laure; Ledeboer, Mark; Salituro, Francesco G.; Harrington, Edmund; Gao, Huai; Baker, Christopher; Cao, Jingrong; Hale, Michael Patent: US2003/149051 A1, 2003 ;
  • Route2
    • (3-Methyl-5-phenylisoxazol-4-yl)methanol|CS-0314328
      113826-87-2
    • ~68%
    • 3-Methyl-5-phenylisoxazole-4-carbaldehyde|CS-0314460
      89479-66-3

    References

    • Heck, Reinhard; Ofenloch, Roland; Wolf, Roland Synthesis, 1990 , # 1 p. 62 - 64
  • Route3

    References

    • Synthesis, , # 1 p. 62 - 64

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   2.46252
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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