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CS-W001157 4
Total: USD 88.00

Isoxazol-5-amine

  • CAS No. 14678-05-8

  • Cat. No. CS-W005361
  • Purity≥98%
  • MDL No.MFCD00128192

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

Isoxazol-5-amine|CS-W005361

Structure of 14678-05-8

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General Information

  • CAS No. 14678-05-8
  • Cat. No. CS-W005361
  • Purity ≥98%
  • MDL No. MFCD00128192
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄N₂O
  • Molecular Weight 84.08
  • Synonym(s) Isoxazol-5-ylamine
  • SMILES NC1=CC=NO1

Description

Isoxazol-5-amine is a nitrogen-rich heterocycle featuring a reactive amine group at the 5-position, enabling direct functionalization in synthetic transformations. This bench-stable scaffold integrates readily into bioactive molecules and serves as a key building block for pharmaceutical intermediates and agrochemicals.

Application

Isoxazol-5-amine serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its primary amine functionality enables straightforward derivatization via acylation, alkylation, and coupling reactions. The isoxazole core exhibits good bench stability and compatibility with common protecting group strategies, facilitating its use in multi-step syntheses. This scaffold functions as a key motif in bioactive molecule design, particularly for compounds requiring polar, hydrogen-bonding capabilities within the pharmacophore.

Synthesis

  • Route1
    • null|null
      1070-71-9
    • ~29%
    • In-stock
      Isoxazol-5-amine|CS-W005361
      14678-05-8

    References

    • Takeda Pharmaceutical Company Limited Patent: EP1813606 A1, 2007 ; Location in patent: Page/Page column 89 ;
  • Route2
    • null|null
      60838-50-8
    • In-stock
      Hydroxylamine 50% w/w in water|CS-0650594
      7803-49-8
    • ~%
    • In-stock
      Isoxazol-5-amine|CS-W005361
      14678-05-8

    References

    • WO2006/90143 A1, ; Page/Page column 51-52 ; WO 2006/090143 A1
  • Route3

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 14, # 11 p. 1277 - 1286

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   52.05
  • LogP   0.2568
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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