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CS-W001157 4
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2-(Difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

  • CAS No. 1951411-51-0

  • Cat. No. CS-0616432
  • Purity≥95%
  • MDL No.None

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

2-(Difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine|CS-0616432

Structure of 1951411-51-0

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General Information

  • CAS No. 1951411-51-0
  • Cat. No. CS-0616432
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆BF₂NO₂
  • Molecular Weight 255.07
  • Synonym(s) None
  • SMILES FC(C1=NC=CC=C1B2OC(C)(C(C)(C)O2)C)F

Description

This pyridine derivative features a difluoromethyl group flanked by a boronate ester, enabling direct functionalization in cross-coupling reactions. The tetramethyl-dioxaborolane moiety ensures stability and compatibility with Suzuki-Miyaura protocols under standard conditions.

Application

2-(Difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine serves as a versatile boron-containing building block for Suzuki-Miyaura cross-coupling reactions. The difluoromethyl group imparts enhanced metabolic stability and modulates lipophilicity, making it valuable in medicinal chemistry. The pinacol boronate moiety ensures excellent bench stability, mild reaction conditions, and compatibility with diverse functional groups, enabling efficient construction of complex pyridine-based scaffolds.

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   31.35
  • LogP   2.3184
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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