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

Name: (3aR,3'aR,8aS,8'aS)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
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CAS No. 189623-45-8
Cat. No. CS-0087138
Purity≥95%
MDL No.None

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(3aR,3'aR,8aS,8'aS)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]|CS-0087138

Structure of 189623-45-8

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General Information

CAS No. 189623-45-8
Cat. No. CS-0087138
Purity ≥95%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₃H₂₂N₂O₂
Molecular Weight 358.43
Synonym(s) (3aR,3'aR,8aS,8'aS)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-Indeno[1,2-d]oxazole
SMILES CC(C(O1)=N[C@H]2[C@@H]1CC3=C2C=CC=C3)(C)C(O4)=N[C@H]5[C@@H]4CC6=C5C=CC=C6

Description

This bis-indeno[1,2-d]oxazole derivative features a rigid, sterically constrained scaffold with two fused heterocyclic rings and a methylethylidene bridge. The molecular architecture imparts high thermal stability and defined spatial orientation, making it suitable for use in asymmetric synthesis and as a chiral ligand in transition metal catalysis.

Application

(3aR,3'aR,8aS,8'aS)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole] serves as a robust chiral scaffold for asymmetric synthesis, offering high stereochemical stability and defined spatial orientation. Its rigid, fused indeno-oxazole framework enables predictable reactivity in transition-metal-catalyzed transformations and functions effectively as a ligand precursor or building block in the construction of complex heterocyclic systems. The molecule exhibits excellent bench stability and facilitates efficient purification due to its crystalline nature and low polarity.

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 4.202
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

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

CAS No. 189623-45-8

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