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CS-W001157 4
Total: USD 88.00

Ethyl 3-methylisoxazole-5-carboxylate

  • CAS No. 63366-79-0

  • Cat. No. CS-0085260
  • Purity≥96%
  • MDL No.MFCD11656615

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

Ethyl 3-methylisoxazole-5-carboxylate|CS-0085260

Structure of 63366-79-0

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General Information

  • CAS No. 63366-79-0
  • Cat. No. CS-0085260
  • Purity ≥96%
  • MDL No. MFCD11656615
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₃
  • Molecular Weight 155.15
  • Synonym(s) ethyl 3-methyl-1,2-oxazole-5-carboxylate
  • SMILES O=C(C1=CC(C)=NO1)OCC

Synthesis

  • Route1
    • null|null
      105-37-3
    • ~24%
    • Ethyl 3-methylisoxazole-5-carboxylate|CS-0085260
      63366-79-0

    References

    • MILLENNIUM PHARMACEUTICALS, INC. Patent: WO2006/91674 A1, 2006 ; Location in patent: Page/Page column 79 ; WO 2006/091674 A1
  • Route2
    • null|null
      79-24-3
    • null|null
      623-47-2
    • ~10%
    • Ethyl 3-methylisoxazole-5-carboxylate|CS-0085260
      63366-79-0

    References

    • Giacomelli, Giampaolo; De Luca, Lidia; Porcheddu, Andrea Tetrahedron, 2003 , vol. 59, # 29 p. 5437 - 5440
  • Route3
    • null|null
      13081-00-0
    • ~86%
    • Ethyl 3-methylisoxazole-5-carboxylate|CS-0085260
      63366-79-0

    References

    • Dannhardt; Kiefer; Lambrecht; Laufer; Mutschler; Schweiger; Striegel European Journal of Medicinal Chemistry, 1995 , vol. 30, # 11 p. 839 - 850

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   1.15972
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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