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5-Amino-1-(tert-butyl)-1,2-dihydro-3H-pyrazol-3-one

  • CAS No. 359867-35-9

  • Cat. No. CS-0098106
  • Purity≥97%
  • MDL No.None

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

5-Amino-1-(tert-butyl)-1,2-dihydro-3H-pyrazol-3-one|CS-0098106

Structure of 359867-35-9

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General Information

  • CAS No. 359867-35-9
  • Cat. No. CS-0098106
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃N₃O
  • Molecular Weight 155.20
  • Synonym(s) 5-Amino-1-(tert-butyl)-1H-pyrazol-3-ol
  • SMILES O=C1NN(C(C)(C)C)C(N)=C1

Description

5-Amino-1-(tert-butyl)-1,2-dihydro-3H-pyrazol-3-one features a sterically shielded tert-butyl group enhancing stability and solubility in organic media. The electron-rich pyrazolone core integrates readily into heterocyclic scaffolds, serving as a robust building block for medicinal chemistry and functional materials synthesis under standard conditions.

Application

5-Amino-1-(tert-butyl)-1,2-dihydro-3H-pyrazol-3-one serves as a versatile scaffold for constructing bioactive heterocycles, enabling efficient access to pyrazole-based pharmaceutical intermediates. The tert-butyl group enhances bench stability and simplifies purification, while the amino and carbonyl functionalities offer orthogonal reactivity for coupling, derivatization, and metal-catalyzed transformations in synthetic workflows.

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   63.81
  • LogP   0.5136
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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