(3aR,8aS)-2-(6-Phenylpyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole

Name: (3aR,8aS)-2-(6-Phenylpyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
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CAS No. 2757082-60-1
Cat. No. CS-0610796
Purity≥98%
MDL No.None

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(3aR,8aS)-2-(6-Phenylpyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole|CS-0610796

Structure of 2757082-60-1

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General Information

CAS No. 2757082-60-1
Cat. No. CS-0610796
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₁H₁₆N₂O
Molecular Weight 312.36
Synonym(s) (3aR,8aS)-2-(6-Phenylpyridin-2-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole
SMILES C1(C2=N[C@H](C3=CC=CC=C3C4)[C@H]4O2)=CC=CC(C5=CC=CC=C5)=N1

Description

This oxazole scaffold features a rigid, polycyclic framework with a phenyl-substituted pyridine moiety, enabling enhanced π-stacking and defined molecular geometry. The stereochemistry at the 3a and 8a positions imparts conformational stability, while the fused indeno-oxazole core supports applications in ligand design and functional materials.

Application

(3aR,8aS)-2-(6-Phenylpyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole serves as a rigid, polycyclic heterocyclic scaffold with defined stereochemistry, enabling precise spatial orientation in medicinal chemistry applications. Its fused indeno-oxazole core exhibits enhanced metabolic stability and favorable binding interactions in target-directed synthesis. The molecule functions effectively in transition-metal-catalyzed coupling reactions and demonstrates bench stability, ease of purification, and compatibility with diverse functional groups, making it a practical building block for advanced API development.

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 4.1914
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Key Words

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(3aR,8aS)-2-(6-Phenylpyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole

CAS No. 2757082-60-1

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