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CS-W001157 4
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1-Isobutyl-1H-pyrazole-4-carbaldehyde

  • CAS No. 1006333-32-9

  • Cat. No. CS-0044860
  • Purity≥98%
  • MDL No.MFCD08559037

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

1-Isobutyl-1H-pyrazole-4-carbaldehyde|CS-0044860

Structure of 1006333-32-9

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General Information

  • CAS No. 1006333-32-9
  • Cat. No. CS-0044860
  • Purity ≥98%
  • MDL No. MFCD08559037
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂O
  • Molecular Weight 152.19
  • Synonym(s) 1-Isobutylpyrazole-4-carbaldehyde
  • SMILES O=CC1=CN(CC(C)C)N=C1

Description

1-Isobutyl-1H-pyrazole-4-carbaldehyde features a pyrazole core with a para-aldehyde group and a sterically hindered isobutyl substituent, enabling selective reactivity in heterocyclic synthesis. This bench-stable aldehyde integrates readily into coupling reactions and serves as a key intermediate for bioactive molecule scaffolds.

Application

1-Isobutyl-1H-pyrazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds through standard functional group transformations. Its aldehyde functionality facilitates reductive amination, Wittig reactions, and nucleophilic additions, while the isobutyl substituent provides favorable lipophilicity and metabolic stability. Bench-stable and readily purified by flash chromatography, it functions effectively in multi-step synthesis of bioactive molecules.

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   34.89
  • LogP   1.3516
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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