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

Name: (3aR,8aS)-2-([2,2'-Bipyridin]-6-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
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CAS No. 2757082-63-4
Cat. No. CS-0610968
Purity≥98%
MDL No.None

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(3aR,8aS)-2-([2,2'-Bipyridin]-6-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole|CS-0610968

Structure of 2757082-63-4

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General Information

CAS No. 2757082-63-4
Cat. No. CS-0610968
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₁₅N₃O
Molecular Weight 313.35
Synonym(s) (3aR,8aS)-2-([2,2'-Bipyridin]-6-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole
SMILES C1(C2=CC=CC(C3=CC=CC=N3)=N2)=N[C@H](C4=CC=CC=C4C5)[C@H]5O1

Description

This bipyridyl-functionalized indeno[1,2-d]oxazole features a rigid, electron-deficient heterocyclic core that enables stable coordination to transition metals. The 2,2'-bipyridin moiety enhances chelation capacity, while the fused oxazole ring imparts planarity and enhanced thermal stability. Ideal for catalytic applications and ligand design in homogeneous synthesis.

Application

(3aR,8aS)-2-([2,2'-Bipyridin]-6-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole serves as a robust heterocyclic building block for transition metal coordination and ligand design. Its fused indeno-oxazole core provides enhanced rigidity and thermal stability, while the bipyridyl moiety enables reliable complexation with palladium, ruthenium, and other catalytic metals. The molecule exhibits excellent bench stability, facilitates straightforward purification via column chromatography, and supports diverse functional group tolerance in cross-coupling and catalytic transformations.

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 47.37
LogP 3.5864
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Key Words

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

CAS No. 2757082-63-4

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