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CS-W001157 4
Total: USD 88.00

2-[(4S)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]-4-(trifluoromethyl)pyridine

  • CAS No. 1257527-14-2

  • Cat. No. CS-0087875
  • Purity≥95%
  • MDL No.None

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

2-[(4S)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]-4-(trifluoromethyl)pyridine|CS-0087875

Structure of 1257527-14-2

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General Information

  • CAS No. 1257527-14-2
  • Cat. No. CS-0087875
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅F₃N₂O
  • Molecular Weight 272.27
  • Synonym(s) 2-[(4S)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]-4-(trifluoromethyl)pyridine
  • SMILES CC(C)(C)[C@@H](CO1)N=C1C2=NC=CC(C(F)(F)F)=C2

Description

(S)-4-CF3-Pyox-tBu is a bench-stable, moisture-tolerant pyridoxal-derived chiral auxiliary featuring a trifluoromethyl group at the 4-position and a bulky tert-butyl ester. This configuration enhances stereocontrol in asymmetric synthesis, enabling efficient enantioselective transformations under standard conditions.

Application

(S)-4-CF₃-Pyox-tBu serves as a robust chiral auxiliary in asymmetric synthesis, enabling stereoselective transformations through its stable oxazoline framework. The trifluoromethyl group enhances electronic modulation and metabolic stability, while the *tert*-butyl substituent ensures excellent bench stability and ease of purification. It functions effectively in enantioselective C–H functionalization and conjugate addition reactions, offering broad compatibility with common reaction conditions and facilitating straightforward derivatization for complex molecule assembly.

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 : H315-H319
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   3.2919
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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