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

Name: (3aR,3'aR,8aS,8'aS)-2,2'-Ethylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
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CAS No. 950596-31-3
Cat. No. CS-0104041
Purity≥97%
MDL No.None

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(3aR,3'aR,8aS,8'aS)-2,2'-Ethylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]|CS-0104041

Structure of 950596-31-3

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General Information

CAS No. 950596-31-3
Cat. No. CS-0104041
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₂₀N₂O₂
Molecular Weight 344.41
Synonym(s) (3aR,3a'R,8aS,8a'S)-2,2'-(Ethane-1,1-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)
SMILES CC(C1=N[C@H](C(C=CC=C2)=C2C3)[C@H]3O1)C4=N[C@H]5[C@H](CC6=C5C=CC=C6)O4

Description

This dioxazole-based scaffold features a rigid, fused bicyclic architecture with dual stereogenic centers, offering enhanced configurational stability. The ethylidene bridge imparts structural rigidity and favorable lipophilicity, enabling efficient integration into complex molecular frameworks for medicinal chemistry applications.

Application

This chiral bis-oxazole scaffold serves as a robust, bench-stable building block for asymmetric synthesis, enabling efficient construction of complex heterocyclic architectures. Its rigid, fused indeno[1,2-d]oxazole framework exhibits excellent functional group tolerance and facilitates stereoselective transformations, making it particularly valuable in the development of pharmaceutical intermediates and catalyst ligands.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 43.18
LogP 3.8119
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Key Words

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

CAS No. 950596-31-3

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