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CS-W001157 4
Total: USD 88.00

3-(tert-Butyl)isoxazol-5-amine

  • CAS No. 59669-59-9

  • Cat. No. CS-0028753
  • Purity≥98%
  • MDL No.MFCD05266697

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

3-(tert-Butyl)isoxazol-5-amine|CS-0028753

Structure of 59669-59-9

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General Information

  • CAS No. 59669-59-9
  • Cat. No. CS-0028753
  • Purity ≥98%
  • MDL No. MFCD05266697
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂O
  • Molecular Weight 140.18
  • Synonym(s) 5-Amino-3-tert-butylisoxazole; 3-tert-Butylisoxazol-5-amine
  • SMILES NC1=CC(C(C)(C)C)=NO1

Description

3-(tert-Butyl)isoxazol-5-amine features a sterically hindered tert-butyl group that enhances stability and solubility in organic media. This electron-rich isoxazole scaffold integrates readily into bioactive molecule frameworks, offering a robust handle for late-stage functionalization in medicinal chemistry and chemical biology applications.

Application

3-(tert-Butyl)isoxazol-5-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to bioactive scaffolds. Its isoxazole core exhibits enhanced metabolic stability and favorable physicochemical properties. The amine functionality facilitates direct derivatization via acylation, alkylation, or coupling reactions, while the tert-butyl group provides steric protection and improved solubility. This compound demonstrates excellent bench stability and compatibility with standard purification techniques, making it well-suited for iterative synthesis campaigns and library generation.

Synthesis

  • Route1

    References

    • Takase, Akira; Murabayashi, Akira; Sumimoto, Shinzaburo; Ueda, Shiro; Makisumi, Yasuo Heterocycles, 1991 , vol. 32, # 6 p. 1153 - 1158
  • Route2
    • In-stock
      Pyvaolylacetonitrile|CS-0029522
      59997-51-2
    • ~%
    • In-stock
      3-(tert-Butyl)isoxazol-5-amine|CS-0028753
      59669-59-9
    • null|null
      121449-41-0

    References

    • Dyes and Pigments, , vol. 86, # 1 p. 42 - 49
  • Route3
    • null|null
      59669-54-4
    • ~%
    • In-stock
      3-(tert-Butyl)isoxazol-5-amine|CS-0028753
      59669-59-9

    References

    • Chemical & Pharmaceutical Bulletin, , vol. 32, # 7 p. 2736 - 2744

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   1.5543
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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