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Boronic acid, B-[1-(1-methylethyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-

  • CAS No. 1361380-69-9

  • Cat. No. CS-0029536
  • Purity≥95%
  • MDL No.MFCD24448764

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

Boronic acid, B-[1-(1-methylethyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-|CS-0029536

Structure of 1361380-69-9

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General Information

  • CAS No. 1361380-69-9
  • Cat. No. CS-0029536
  • Purity ≥95%
  • MDL No. MFCD24448764
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀BF₃N₂O₂
  • Molecular Weight 221.97
  • Synonym(s) 1-Isopropyl-3-(trifluoromethyl)pyrazole-5-boronic acid
  • SMILES FC(C1=NN(C(C)C)C(B(O)O)=C1)(F)F

Description

This boronate moiety features a trifluoromethyl-substituted pyrazole scaffold, delivering enhanced stability and solubility in polar solvents. The isopropyl group imparts steric protection, minimizing protodeboronation under standard conditions. Ideal for Suzuki-Miyaura cross-coupling reactions, this reagent enables efficient construction of complex heteroaryl architectures with minimal side-product formation.

Application

(1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the isopropyl substituent provides steric bulk and improved solubility. Bench-stable and compatible with diverse functional groups, it facilitates rapid access to complex pyrazole-based scaffolds relevant to medicinal chemistry and agrochemical research.

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   58.28
  • LogP   0.1626
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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