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CS-W001157 4
Total: USD 88.00

5-Methyl-3-phenylisoxazole-4-carboxylic acid

  • CAS No. 1136-45-4

  • Cat. No. CS-0005891
  • Purity≥98%
  • MDL No.MFCD00003153

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

5-Methyl-3-phenylisoxazole-4-carboxylic acid|CS-0005891

Structure of 1136-45-4

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General Information

  • CAS No. 1136-45-4
  • Cat. No. CS-0005891
  • Purity ≥98%
  • MDL No. MFCD00003153
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₃
  • Molecular Weight 203.20
  • Synonym(s) None
  • SMILES O=C(O)C1=C(C)ON=C1C2=CC=CC=C2

Description

5-Methyl-3-phenylisoxazole-4-carboxylic acid was used in preparation of intermediates for the synthesis of penicillin. It was used for acylation during solid support synthesis of the isoxazolopyridone derivatives.

Synthesis

  • Route1
    • Methyl 5-methyl-3-phenylisoxazole-4-carboxylate|CS-0279483
      2065-28-3
    • ~72%
    • In-stock
      5-Methyl-3-phenylisoxazole-4-carboxylic acid|CS-0005891
      1136-45-4

    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
    • Ethyl 5-methyl-3-phenylisoxazole-4-carboxylate|CS-0441118
      1143-82-4
    • ~99%
    • In-stock
      5-Methyl-3-phenylisoxazole-4-carboxylic acid|CS-0005891
      1136-45-4

    References

    • Xin, Zhili; Zhao, Hongyu; Serby, Michael D.; Liu, Bo; Schaefer, Verlyn G.; Falls, Douglas H.; Kaszubska, Wiweka; Colins, Christine A.; Sham, Hing L.; Liu, Gang Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 4 p. 1201 - 1204
  • Route3
    • null|null
      100-52-7
    • In-stock
      Methyl acetylacetate|CS-0017265
      105-45-3
    • ~%
    • In-stock
      5-Methyl-3-phenylisoxazole-4-carboxylic acid|CS-0005891
      1136-45-4

    References

    • WO2012/164355 A1, ; Page/Page column 12 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.34822
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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