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

  • CAS No. 1803416-29-6

  • Cat. No. CS-0097708
  • Purity≥95%
  • MDL No.None

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

(S)-4-Benzyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole|CS-0097708

Structure of 1803416-29-6

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General Information

  • CAS No. 1803416-29-6
  • Cat. No. CS-0097708
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃F₃N₂O
  • Molecular Weight 306.28
  • Synonym(s) 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-5-(trifluoromethyl)-Pyridine
  • SMILES FC(F)(F)C1=CN=C(C2=N[C@@H](CC3=CC=CC=C3)CO2)C=C1

Description

(S)-5-CF3-Pyox-Bn features a chiral pyrrolidinone core bearing a trifluoromethyl group at the 5-position and a benzyl protecting group, enabling selective functionalization in asymmetric synthesis. This configuration ensures high stereocontrol during coupling reactions, while the electron-withdrawing CF₃ moiety enhances reactivity and metabolic stability.

Application

(S)-5-CF₃-Pyox-Bn serves as a versatile chiral building block for the synthesis of fluorinated heterocycles and bioactive molecules. Its pyridoxal-derived core enables efficient Michael additions, nucleophilic substitutions, and transition-metal-catalyzed couplings. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the benzyl-protected aldehyde facilitates selective transformations. Bench-stable and amenable to standard purification techniques, it functions effectively in multi-step syntheses targeting pharmaceutical intermediates.

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

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Computational Chemistry Data

  • TPSA   34.48
  • LogP   3.4885
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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