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

Name: (3aS,8aR)-2-(Isoquinolin-3-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
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CAS No. 2321534-63-6
Cat. No. CS-0610959
Molecule weight286.33
Purity≥98%
MDL No.None

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(3aS,8aR)-2-(Isoquinolin-3-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole|CS-0610959

Structure of 2321534-63-6

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General Information

CAS No. 2321534-63-6
Cat. No. CS-0610959
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₉H₁₄N₂O
Molecular Weight 286.33
Synonym(s) (3aS,8aR)-2-(Isoquinolin-3-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole
SMILES C1(C2=CC(C=CC=C3)=C3C=N2)=N[C@@H](C4=CC=CC=C4C5)[C@@H]5O1

Description

This indeno[1,2-d]oxazole scaffold integrates a rigid isoquinolinyl moiety, delivering enhanced structural stability and defined spatial orientation. The fused bicyclic system supports precise molecular positioning, enabling efficient engagement in targeted synthetic transformations and complex molecule assembly.

Application

(3aS,8aR)-2-(Isoquinolin-3-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole serves as a rigid, heteroaromatic scaffold enabling efficient construction of complex polycyclic systems. Its defined stereochemistry and fused indeno-oxazole core provide excellent functional group tolerance and bench stability, facilitating downstream transformations in medicinal chemistry workflows. The isoquinoline moiety enhances π-stacking potential and offers a handle for further derivatization via standard coupling reactions.

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 3.6776
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Key Words

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

CAS No. 2321534-63-6

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