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CS-W001157 4
Total: USD 88.00

3-Methoxyisoxazole-5-carboxylic acid

  • CAS No. 13626-59-0

  • Cat. No. CS-0036212
  • Molecule weight143.10
  • Purity≥97%
  • MDL No.MFCD07368245

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

3-Methoxyisoxazole-5-carboxylic acid|CS-0036212

Structure of 13626-59-0

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General Information

  • CAS No. 13626-59-0
  • Cat. No. CS-0036212
  • Purity ≥97%
  • MDL No. MFCD07368245
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₄
  • Molecular Weight 143.10
  • Synonym(s) 3-methoxy-5-isoxazolecarboxylic acid
  • SMILES COC1=NOC(=C1)C(=O)O

Synthesis

  • Route1
    • null|null
      77-78-1
    • In-stock
      methyl 3-hydroxyisoxazole-5-carboxylate|CS-W000792
      10068-07-2
    • ~61%
    • In-stock
      3-Methoxyisoxazole-5-carboxylic acid|CS-0036212
      13626-59-0

    References

    • F. HOFFMANN-LA ROCHE AG; AEBI, Johannes; BINGGELI, Alfred; HERTEL, Cornelia; KONKAR, Anish Ashok; KUEHNE, Holger; KUHN, Bernd; MAERKI, Hans P.; WANG, Haiyan Patent: WO2012/89601 A1, 2012 ; Location in patent: Page/Page column 58-59 ; WO 2012/089601 A1
  • Route2
    • Methyl 3-methoxyisoxazole-5-carboxylate|CS-0316432
      16880-11-8
    • ~%
    • In-stock
      3-Methoxyisoxazole-5-carboxylic acid|CS-0036212
      13626-59-0

    References

    • Journal of Organic Chemistry, , vol. 74, # 12 p. 4547 - 4553
  • Route3
    • null|null
      67-56-1
    • In-stock
      3-Bromo-5-isoxazolecarboxylic acid|CS-W008746
      6567-35-7
    • ~%
    • In-stock
      3-Methoxyisoxazole-5-carboxylic acid|CS-0036212
      13626-59-0

    References

    • Helvetica Chimica Acta, , vol. 50, p. 137 - 142

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

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Computational Chemistry Data

  • TPSA   72.56
  • LogP   0.3814
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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