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CS-W001157 4
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(R)-4-Isopropyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole

  • CAS No. 2010973-00-7

  • Cat. No. CS-0104458
  • Purity≥95%
  • MDL No.None

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

(R)-4-Isopropyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole|CS-0104458

Structure of 2010973-00-7

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General Information

  • CAS No. 2010973-00-7
  • Cat. No. CS-0104458
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃F₃N₂O
  • Molecular Weight 258.24
  • Synonym(s) (R)-4-Isopropyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole
  • SMILES CC(C)[C@H](CO1)N=C1C2=NC=C(C(F)(F)F)C=C2

Description

(R)-5-CF3-Pyox-iPr is a bench-stable, moisture-tolerant chiral pyridoxal analog featuring a trifluoromethyl group at the 5-position and an isopropyl substituent. This configuration enhances electron-withdrawing character and steric shielding, enabling selective coupling reactions in asymmetric synthesis workflows.

Application

(R)-5-CF₃-Pyox-iPr serves as a robust chiral building block for the synthesis of fluorinated heterocycles, leveraging its trifluoromethyl-substituted pyridine core and stereogenic center. It facilitates efficient coupling reactions and functions reliably in transition-metal-catalyzed transformations, offering enhanced metabolic stability and lipophilicity. The isopropyl oxime group provides excellent bench stability and simplifies purification, making it well-suited for iterative synthesis in medicinal chemistry workflows.

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   34.48
  • LogP   2.9018
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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