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

  • CAS No. 1803416-30-9

  • Cat. No. CS-0097653
  • Purity≥95%
  • MDL No.None

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

(S)-4-Isopropyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole|CS-0097653

Structure of 1803416-30-9

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General Information

  • CAS No. 1803416-30-9
  • Cat. No. CS-0097653
  • 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) None
  • SMILES CC(C)[C@@H](CO1)N=C1C2=NC=C(C(F)(F)F)C=C2

Description

(S)-5-CF3-Pyox-iPr is a bench-stable, moisture-tolerant chiral pyridoxal derivative featuring a trifluoromethyl group at the 5-position and an isopropyl substituent. This configuration enhances electron-withdrawing character and steric control, enabling precise stereochemical delivery in asymmetric synthesis. The scaffold integrates readily into catalytic systems requiring robust, functionalized aldehyde equivalents.

Application

(S)-5-CF₃-Pyox-iPr serves as a robust chiral auxiliary for asymmetric synthesis, enabling stereoselective transformations through its stable pyrrolidine scaffold. The trifluoromethyl group enhances electronic modulation and metabolic stability, while the isopropyl substituent improves solubility and facilitates purification. It functions effectively in enantioselective alkylations and conjugate additions, offering high diastereoselectivity and operational simplicity in standard bench-scale protocols.

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-P280-P302+P352

Quality Control

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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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