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CS-W001157 4
Total: USD 88.00

1-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

  • CAS No. 1206640-82-5

  • Cat. No. CS-W000398
  • Purity≥97%
  • MDL No.MFCD17011852

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

1-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-W000398

Structure of 1206640-82-5

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General Information

  • CAS No. 1206640-82-5
  • Cat. No. CS-W000398
  • Purity ≥97%
  • MDL No. MFCD17011852
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅BF₂N₂O₂
  • Molecular Weight 244.05
  • Synonym(s) 1-(Difluoromethyl)pyrazole-4-boronic acid pinacol ester
  • SMILES FC(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)F

Description

1-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole integrates a difluoromethyl group with a stable boronate handle, enabling direct coupling in Suzuki-Miyaura reactions. The tetramethyl-substituted dioxaborolane enhances shelf life and moisture tolerance, while the pyrazole core provides a rigid, electron-deficient scaffold for diverse heterocyclic synthesis.

Application

1-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole serves as a versatile boronate building block for Suzuki-Miyaura coupling reactions. The difluoromethyl group imparts enhanced metabolic stability and modulates electronic properties, while the pinacol boronate enables robust reaction conditions, excellent functional group tolerance, and straightforward purification. This compound facilitates efficient construction of pyrazole-based scaffolds in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   36.28
  • LogP   1.5774
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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