2-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-5-(trifluoromethyl)pyridine

Name: 2-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-5-(trifluoromethyl)pyridine
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CAS No. 1416819-91-4
Cat. No. CS-0086738
Purity≥97%
MDL No.MFCD23701103

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2-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-5-(trifluoromethyl)pyridine|CS-0086738

Structure of 1416819-91-4

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Description

(S)-5-CF3-Pyox-tBu is a bench-stable, moisture-tolerant pyridine-based scaffold featuring a sterically hindered tert-butyl group and a strongly electron-withdrawing trifluoromethyl substituent at the 5-position. This configuration enhances regioselectivity in cross-coupling reactions and improves stability during handling and storage under standard conditions.

Application

(S)-5-CF₃-Pyox-tBu serves as a robust chiral building block for the synthesis of fluorinated heterocycles, leveraging its trifluoromethyl group and tert-butyl oxime handle to enable selective transformations. The stereogenic center ensures high enantioselectivity in downstream coupling reactions, while the pyox scaffold exhibits excellent bench stability and compatibility with standard purification methods. This compound facilitates efficient access to complex scaffolds relevant to medicinal chemistry campaigns requiring enhanced metabolic stability and membrane permeability.

General Information

CAS No. 1416819-91-4
Cat. No. CS-0086738
Purity ≥97%
MDL No. MFCD23701103
Storage -20°C
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]-5-(trifluoromethyl)pyridine
SMILES CC(C)(C)[C@@H](CO1)N=C1C2=NC=C(C(F)(F)F)C=C2

Computational Chemistry Data

TPSA 34.48
LogP 3.2919
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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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2-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-5-(trifluoromethyl)pyridine

CAS No. 1416819-91-4

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