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CS-W001157 4
Total: USD 88.00

1-Isopropyl-3-(trifluoromethyl)pyrazole-4-boronic acid

  • CAS No. 2170881-31-7

  • Cat. No. CS-0045106
  • Purity≥97%
  • MDL No.MFCD25953898

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

1-Isopropyl-3-(trifluoromethyl)pyrazole-4-boronic acid|CS-0045106

Structure of 2170881-31-7

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General Information

  • CAS No. 2170881-31-7
  • Cat. No. CS-0045106
  • Purity ≥97%
  • MDL No. MFCD25953898
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀BF₃N₂O₂
  • Molecular Weight 221.97
  • Synonym(s) [1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]boronic acid
  • SMILES OB(C1=CN(C(C)C)N=C1C(F)(F)F)O

Description

1-Isopropyl-3-(trifluoromethyl)pyrazole-4-boronic acid delivers a sterically hindered, electron-deficient boronate moiety ideal for Suzuki-Miyaura cross-coupling under standard conditions. The trifluoromethyl group enhances metabolic stability and modulates electronic properties, while the isopropyl substituent provides steric protection to the boronic acid functionality. This combination ensures high bench stability and compatibility with diverse reaction partners.

Application

1-Isopropyl-3-(trifluoromethyl)pyrazole-4-boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the boronic acid moiety offers excellent bench stability and compatibility with diverse reaction conditions. Its orthogonal functionalization profile facilitates integration into complex molecular architectures 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-P330-P362+P364-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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