2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile

Name: 2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile
Brand: ChemScene
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CAS No. 1442644-14-5
Cat. No. CS-0566134
Purity≥98%
MDL No.None

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2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile|CS-0566134

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General Information

CAS No. 1442644-14-5
Cat. No. CS-0566134
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₁₇N₃O₂
Molecular Weight 355.39
Synonym(s) 2,2-bis((3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazol-2-yl)acetonitrile
SMILES N#C/C(C(O1)=N[C@H]([C@H]1C2)C3=C2C=CC=C3)=C4N[C@@H](C(C=CC=C5)=C5C6)[C@@H]6O/4

Description

This acetonitrile derivative features a rigid, chiral indeno[1,2-d]oxazoline scaffold that imparts exceptional stability and defined stereochemical control. The bis-substituted structure enables precise spatial orientation in asymmetric synthesis, facilitating efficient coupling reactions under mild conditions.

Application

2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile serves as a sterically hindered, bench-stable building block for the synthesis of complex heterocyclic scaffolds. Its dual indeno[1,2-d]oxazoline moieties enable efficient construction of polycyclic architectures through standard coupling reactions. The nitrile group provides a versatile handle for further functionalization, while the rigid, chiral framework offers potential for asymmetric synthesis applications.

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 66.64
LogP 3.10208
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 1

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2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile

CAS No. 1442644-14-5

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