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CS-W001157 4
Total: USD 88.00

3-(tert-Butyl)-1H-pyrazole-4-carbaldehyde

  • CAS No. 1001020-17-2

  • Cat. No. CS-0039295
  • Purity≥97%
  • MDL No.MFCD07186448

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

3-(tert-Butyl)-1H-pyrazole-4-carbaldehyde|CS-0039295

Structure of 1001020-17-2

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General Information

  • CAS No. 1001020-17-2
  • Cat. No. CS-0039295
  • Purity ≥97%
  • MDL No. MFCD07186448
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂O
  • Molecular Weight 152.19
  • Synonym(s) 5-tert-butyl-1H-pyrazole-4-carbaldehyde
  • SMILES O=CC1=CNN=C1C(C)(C)C

Description

This pyrazole aldehyde features a sterically hindered tert-butyl group that enhances stability and solubility in organic media. The aldehyde moiety enables direct coupling in Ugi, Mannich, or reductive amination reactions. Its electron-deficient heterocyclic core supports efficient functionalization under mild conditions.

Application

3-(tert-Butyl)-1H-pyrazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrazole-based scaffolds via standard condensation and coupling reactions. The aldehyde group facilitates efficient derivatization, including reductive amination and Grignard additions, while the tert-butyl substituent enhances steric stability and solubility. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for high-throughput synthesis and API intermediate development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   1.5197
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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