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CS-W001157 4
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Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate

  • CAS No. 139297-55-5

  • Cat. No. CS-0542347
  • Purity≥98%
  • MDL No.MFCD14706527

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

Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate|CS-0542347

Structure of 139297-55-5

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General Information

  • CAS No. 139297-55-5
  • Cat. No. CS-0542347
  • Purity ≥98%
  • MDL No. MFCD14706527
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₄
  • Molecular Weight 157.12
  • Synonym(s) Methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
  • SMILES O=C(C1=NOC(CO)=C1)OC

Synthesis

  • Route1
    • null|null
      252769-66-7
    • ~85%
    • Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate|CS-0542347
      139297-55-5

    References

    • Simoni, Daniele; Invidiata, Francesco Paolo; Rondanin, Riccardo; Grimaudo, Stefania; Cannizzo, Giuliana; Barbusca, Eleonora; Porretto, Ferdinando; D'Alessandro, Nicola; Tolomeo, Manlio Journal of Medicinal Chemistry, 1999 , vol. 42, # 24 p. 4961 - 4969
  • Route2
    • Methyl 2-Chloro-2-(Hydroxyimino)acetate|CS-0771114
      30673-27-9
    • null|null
      107-19-7
    • ~43%
    • Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate|CS-0542347
      139297-55-5

    References

    • Lepage; Tombret; Cuvier; Marivain; Gillardin European Journal of Medicinal Chemistry, 1992 , vol. 27, # 6 p. 581 - 593

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   72.56
  • LogP   -0.0465
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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