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

Name: (3aR,3'aR,8aS,8'aS)-2,2'-Cyclohexylidenebis[3a,8a-dihydro-dihydro-8H-indeno[1,2-d]oxazole
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CAS No. 2085239-89-8
Cat. No. CS-0104028
Purity≥95%
MDL No.None

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(3aR,3'aR,8aS,8'aS)-2,2'-Cyclohexylidenebis[3a,8a-dihydro-dihydro-8H-indeno[1,2-d]oxazole|CS-0104028

Structure of 2085239-89-8

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General Information

CAS No. 2085239-89-8
Cat. No. CS-0104028
Purity ≥95%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₇H₂₈N₂O₂
Molecular Weight 412.52
Synonym(s) (3aR,3'aR,8aS,8'aS)-2,2'-Cyclohexylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole
SMILES [C@@H]12OC(C3(CCCCCC3)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 framework with defined stereochemistry at all four centers, enabling precise spatial control in asymmetric synthesis. The cyclohexylidene bridge imparts conformational stability and enhances solubility in organic media. This structure serves as a robust building block for chiral ligands and catalysts in transition-metal-catalyzed transformations.

Application

(3aR,3'aR,8aS,8'aS)-2,2'-Cyclohexylidenebis[3a,8a-dihydro-dihydro-8H-indeno[1,2-d]oxazole] serves as a rigid, chiral bis-heterocyclic scaffold with defined stereochemistry, enabling precise spatial control in asymmetric synthesis. Its fused indeno-oxazole framework exhibits excellent bench stability and functional group tolerance, facilitating downstream derivatization in medicinal chemistry. The cyclohexylidene bridge enhances conformational rigidity, making it a valuable building block for the construction of complex polycyclic architectures and potential API intermediates.

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 5.5164
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

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

CAS No. 2085239-89-8

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