(3aR,3a'R,8aS,8a'S)-2,2'-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole]

Name: (3aR,3a'R,8aS,8a'S)-2,2'-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole]
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CAS No. 2097145-89-4
Cat. No. CS-0104025
Purity≥97%
MDL No.MFCD32201213

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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(3aR,3a'R,8aS,8a'S)-2,2'-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole]|CS-0104025

Structure of 2097145-89-4

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General Information

CAS No. 2097145-89-4
Cat. No. CS-0104025
Purity ≥97%
MDL No. MFCD32201213
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₆H₂₆N₂O₂
Molecular Weight 398.50
Synonym(s) None
SMILES [C@@H]12OC(C3(CCCCC3)C4=N[C@H](C(C=CC=C5)=C5C6)[C@H]6O4)=N[C@@H]1C7=C(C=CC=C7)C2

Description

This bicyclic oxazole scaffold features a rigid, chiral cyclohexylidene bridge that enforces defined spatial orientation. The fused indeno-oxazole rings provide enhanced stability and electron-rich character, enabling precise molecular recognition. This structural framework serves as a high-fidelity chiral auxiliary in asymmetric synthesis and catalytic systems requiring defined stereoelectronic environments.

Application

This bicyclic scaffold serves as a rigid, stereochemically defined building block for the synthesis of complex heterocyclic systems. Its fused indeno[1,2-d]oxazole framework exhibits enhanced stability and predictable reactivity, enabling efficient functionalization at key positions. The cyclohexylidene bridge provides conformational constraint ideal for medicinal chemistry applications, while the oxazole rings offer orthogonal sites for further derivatization. Facilitates access to high-value scaffolds in API development through robust, scalable 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-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 43.18
LogP 5.1263
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

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(3aR,3a'R,8aS,8a'S)-2,2'-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole]

CAS No. 2097145-89-4

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