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CS-W001157 4
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1-(2,2-Difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

  • CAS No. 1049730-40-6

  • Cat. No. CS-0052921
  • Purity≥95%
  • MDL No.None

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

1-(2,2-Difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-0052921

Structure of 1049730-40-6

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General Information

  • CAS No. 1049730-40-6
  • Cat. No. CS-0052921
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇BF₂N₂O₂
  • Molecular Weight 258.07
  • Synonym(s) 1H-Pyrazole, 1-(2,2-difluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • SMILES CC1(C)OB(OC1(C)C)C1=CN(CC(F)F)N=C1

Description

This pyrazole derivative features a boronate ester group enabling efficient Suzuki-Miyaura coupling, paired with a difluoroethyl substituent that enhances metabolic stability and lipophilicity. The tetramethyl-1,3,2-dioxaborolane moiety ensures excellent shelf stability and reactivity under mild conditions.

Application

1-(2,2-Difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole serves as a versatile boron-containing building block for Suzuki-Miyaura cross-coupling reactions. The tetramethylboronate group enables efficient coupling with aryl and heteroaryl halides under mild conditions, while the 2,2-difluoroethyl substituent enhances metabolic stability and modulates lipophilicity. This compound exhibits excellent bench stability, tolerates common functional groups, and simplifies purification—making it well-suited for iterative synthesis of complex pyrazole-based scaffolds in medicinal chemistry and process development.

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   1.4474
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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