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CS-W001157 4
Total: USD 88.00

3-Methylisoxazol-4-amine

  • CAS No. 354795-62-3

  • Cat. No. CS-0152707
  • Purity≥98%
  • MDL No.MFCD11878420

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

3-Methylisoxazol-4-amine|CS-0152707

Structure of 354795-62-3

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General Information

  • CAS No. 354795-62-3
  • Cat. No. CS-0152707
  • Purity ≥98%
  • MDL No. MFCD11878420
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆N₂O
  • Molecular Weight 98.10
  • Synonym(s) 3-Methyl-isoxazol-4-ylamine
  • SMILES CC1=NOC=C1N

Description

3-Methylisoxazol-4-amine is a nitrogen-rich heterocyclic amine featuring a methyl-substituted isoxazole core. This bench-stable compound integrates readily into medicinal chemistry scaffolds, offering a polar, electron-donating moiety that enhances solubility and bioavailability in target-directed synthesis.

Application

3-Methylisoxazol-4-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to isoxazole-based scaffolds. Its amine functionality facilitates direct derivatization and conjugation, while the methyl group enhances metabolic stability. The compound exhibits good bench stability and compatibility with standard synthetic transformations, making it well-suited for use in drug discovery campaigns involving nitrogen-containing heterocycles.

Synthesis

  • Route1
    • Tert-butyl (3-methylisoxazol-4-yl)carbamate|CS-0941985
      1285517-11-4
    • ~%
    • In-stock
      3-Methylisoxazol-4-amine|CS-0152707
      354795-62-3

    References

    • GLAXO GROUP LIMITED; GLAXOSMITHKLINE (CHINA) RandD COMPANY LIMITED; NICHOLS, Paula Louise; EATHERTON, Andrew John; BAMBOROUGH, Paul; JANDU, Karamjit Singh; PHILPS, Oliver James; ANDREOTTI, Daniele Patent: WO2011/38572 A1, 2011 ; Location in patent: Page/Page column 75 ; WO 2011/038572 A1
  • Route2
    • 3-Methyl-4-nitroisoxazole|CS-0686790
      1122-05-0
    • ~65%
    • In-stock
      3-Methylisoxazol-4-amine|CS-0152707
      354795-62-3

    References

    • Reiter, Lawrence A. Journal of Organic Chemistry, 1987 , vol. 52, # 13 p. 2714 - 2726

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H225
Precautionary Statements : P210-P243-P273-P403

Quality Control

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Computational Chemistry Data

  • TPSA   52.05
  • LogP   0.56522
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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