(3aS,8aR)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole

Name: (3aS,8aR)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
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CAS No. 2757082-23-6
Cat. No. CS-0064047
Purity≥97%
MDL No.None

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(3aS,8aR)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole|CS-0064047

Structure of 2757082-23-6

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General Information

CAS No. 2757082-23-6
Cat. No. CS-0064047
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₁F₃N₂O
Molecular Weight None
Synonym(s) (3aS,8aR)-2-(4-(Trifluoromethyl)pyridin-2-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole
SMILES FC(F)(F)C1=CC(C2=N[C@@H](C(C=CC=C3)=C3C4)[C@@H]4O2)=NC=C1

Description

This indeno[1,2-d]oxazole features a trifluoromethylpyridine moiety that enhances electron deficiency and metabolic stability. The fused bicyclic scaffold provides rigidity and improved binding affinity, making it suitable for medicinal chemistry applications requiring enhanced lipophilicity and target engagement under physiological conditions.

Application

(3aS,8aR)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to complex fused scaffolds. Its rigid, planar architecture and electron-deficient trifluoromethylpyridine moiety enhance binding affinity in target-directed synthesis. The indeno[1,2-d]oxazole core exhibits excellent bench stability, tolerates diverse functional groups, and facilitates downstream transformations via electrophilic or transition-metal-catalyzed coupling reactions, making it well-suited for high-throughput screening and API development workflows.

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 34.48
LogP 3.5432
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Key Words

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(3aS,8aR)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole

CAS No. 2757082-23-6

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