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CS-W001157 4
Total: USD 88.00

3-Bromo-1-ethyl-1H-pyrazole

  • CAS No. 1216504-91-4

  • Cat. No. CS-0099971
  • Purity≥95%
  • MDL No.MFCD09414729

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

3-Bromo-1-ethyl-1H-pyrazole|CS-0099971

Structure of 1216504-91-4

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General Information

  • CAS No. 1216504-91-4
  • Cat. No. CS-0099971
  • Purity ≥95%
  • MDL No. MFCD09414729
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇BrN₂
  • Molecular Weight 175.03
  • Synonym(s) None
  • SMILES CCN1N=C(Br)C=C1

Description

3-Bromo-1-ethyl-1H-pyrazole is a halogenated pyrazole derivative featuring a bromine atom at the 3-position and an ethyl group at nitrogen-1. This configuration imparts enhanced electrophilicity and stability under standard conditions, enabling efficient coupling in transition-metal-catalyzed reactions. The molecule serves as a key intermediate in medicinal chemistry for constructing heterocyclic scaffolds with tunable electronic properties.

Application

3-Bromo-1-ethyl-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo functionality. The ethyl substituent at N1 enhances solubility and modulates electronic properties, while the pyrazole core provides a robust heterocyclic scaffold with demonstrated utility in drug discovery. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex targets.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   1.6655
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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