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Methyl 5-methyl-3-phenylisoxazole-4-carboxylate

  • CAS No. 2065-28-3

  • Cat. No. CS-0279483
  • Molecule weight217.22
  • Purity95+%
  • MDL No.None

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

Methyl 5-methyl-3-phenylisoxazole-4-carboxylate|CS-0279483

Structure of 2065-28-3

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General Information

  • CAS No. 2065-28-3
  • Cat. No. CS-0279483
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₃
  • Molecular Weight 217.22
  • Synonym(s) Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
  • SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC

Synthesis

  • Route1

    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

    References

    • Kijima, Masashi; Nambu, Yoko; Endo, Takeshi Journal of Organic Chemistry, 1985 , vol. 50, # 7 p. 1140 - 1142
  • Route3
    • null|null
      873-67-6
    • null|null
      60753-84-6
    • ~65%
    • Methyl 5-methyl-3-phenylisoxazole-4-carboxylate|CS-0279483
      2065-28-3

    References

    • Lasri, Jamal; Mukhopadhyay, Suman; Charmier, M. Adilia Januario Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 5 p. 1385 - 1389

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   2.43662
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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