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CS-W001157 4
Total: USD 88.00

4-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde

  • CAS No. 473528-88-0

  • Cat. No. CS-0045018
  • Purity≥98%
  • MDL No.MFCD03074341

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

4-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde|CS-0045018

Structure of 473528-88-0

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General Information

  • CAS No. 473528-88-0
  • Cat. No. CS-0045018
  • Purity ≥98%
  • MDL No. MFCD03074341
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅BrN₂O
  • Molecular Weight 189.01
  • Synonym(s) 4-Bromo-2-methylpyrazole-3-carbaldehyde
  • SMILES O=CC1=C(Br)C=NN1C

Description

4-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde features a brominated pyrazole core with a methyl group at the 1-position and a formyl substituent at the 5-position, enabling direct integration into diverse synthetic scaffolds. The electron-deficient aldehyde facilitates efficient coupling reactions, while the bromine atom provides a handle for cross-coupling transformations. This compound serves as a key building block in medicinal chemistry and heterocyclic synthesis.

Application

4-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The aldehyde group enables direct functionalization via nucleophilic additions, while the bromo substituent supports palladium-catalyzed cross-coupling reactions. Its stability under standard bench conditions and compatibility with common protecting groups facilitate efficient assembly of complex pyrazole-based scaffolds.

Safety Information

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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   0.9951
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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