(4aS,9aR)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one

Name: (4aS,9aR)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one
Brand: ChemScene
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CAS No. 913718-34-0
Cat. No. CS-0098293
Purity≥95%
MDL No.None

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(4aS,9aR)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one|CS-0098293

Structure of 913718-34-0

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Description

This tetrahydroindeno[2,1-b][1,4]oxazinone features a rigid, polycyclic scaffold with defined stereochemistry at the 4a and 9a positions, enabling precise spatial control in synthetic applications. The oxazinone core combines moderate electron density with enhanced stability under standard conditions, facilitating integration into complex molecular architectures.

Application

(4aS,9aR)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one serves as a versatile scaffold for the synthesis of biologically active heterocycles, leveraging its rigid fused-ring architecture and latent electrophilic site at C3. The molecule exhibits bench stability and facilitates efficient functionalization via nucleophilic substitution or reductive amination, enabling rapid diversification in medicinal chemistry campaigns. Its defined stereochemistry supports predictable reactivity and consistent outcomes in standard coupling protocols.

General Information

CAS No. 913718-34-0
Cat. No. CS-0098293
Purity ≥95%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₁NO₂
Molecular Weight 189.21
Synonym(s) (4aS,9aR)-4,4a,9,9a-tetrahydro-Indeno[2,1-b]-1,4-oxazin-3(2H)-one
SMILES O=C1N[C@]2([H])[C@](CC3=C2C=CC=C3)([H])OC1

Computational Chemistry Data

TPSA 38.33
LogP 0.7988
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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-P280-P302+P352

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(4aS,9aR)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one

CAS No. 913718-34-0

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