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(3aR,8aS)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole

  • CAS No. 2097333-76-9

  • Cat. No. CS-0064042
  • Molecule weight304.27
  • Purity≥95%
  • MDL No.None

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

(3aR,8aS)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole|CS-0064042

Structure of 2097333-76-9

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General Information

  • CAS No. 2097333-76-9
  • Cat. No. CS-0064042
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₁F₃N₂O
  • Molecular Weight 304.27
  • Synonym(s) (3aR,8aS)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
  • SMILES FC(F)(F)C1=CN=C(C2=N[C@H](C(C=CC=C3)=C3C4)[C@H]4O2)C=C1

Description

(R,S)-5-CF3-Pyox-In features a trifluoromethyl-substituted pyrrolidine scaffold with enhanced electron-withdrawing character, enabling robust coupling in transition-metal-catalyzed transformations. This bench-stable intermediate integrates readily into complex molecular architectures, offering high functional group tolerance and predictable stereochemical outcomes in synthetic workflows.

Application

(R,S)-5-CF₃-Pyox-In serves as a versatile building block for the synthesis of fluorinated heterocycles, enabling efficient access to biologically relevant scaffolds. Its trifluoromethylated pyridine core exhibits enhanced metabolic stability and lipophilicity, while the indole moiety provides a platform for further functionalization via standard coupling reactions. The compound demonstrates bench stability and compatibility with common protecting group strategies, facilitating its use in medicinal chemistry campaigns targeting CNS and oncology therapeutics.

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   3.5432
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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