2-(4-Oxocyclohexyl)-1h-isoindole-1,3(2h)-dione

Name: 2-(4-Oxocyclohexyl)-1h-isoindole-1,3(2h)-dione
Brand: ChemScene
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CAS No. 104618-32-8
Cat. No. CS-0116979
Purity≥97%
MDL No.None

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2-(4-Oxocyclohexyl)-1h-isoindole-1,3(2h)-dione|CS-0116979

Structure of 104618-32-8

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Description

This bicyclic lactam features a cyclohexyl ketone moiety fused to an isoindoline-1,3-dione core, delivering enhanced structural rigidity and tunable electronic properties. The oxocyclohexyl group imparts steric bulk and modulates reactivity, while the electron-deficient quinoid system enables efficient coupling in transition-metal-catalyzed transformations. Bench-stable and compatible with standard synthetic protocols, this scaffold serves as a valuable building block for bioactive molecule design.

Application

2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione serves as a versatile building block for heterocyclic synthesis, enabling efficient access to fused polycyclic scaffolds via standard cycloaddition and functional group interconversions. Its cyclohexanone moiety offers defined regiochemistry and stability under common reaction conditions, facilitating downstream derivatization in medicinal chemistry campaigns. The isoindoline core exhibits robust bench stability and compatibility with diverse reaction environments.

General Information

CAS No. 104618-32-8
Cat. No. CS-0116979
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₃NO₃
Molecular Weight 243.26
Synonym(s) 4-Phthalimidocyclohexanone
SMILES O=C1N(C2CCC(CC2)=O)C(C3=C1C=CC=C3)=O

Computational Chemistry Data

TPSA 54.45
LogP 1.7943
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

General Reagents Organic General Reagents

Key Words

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2-(4-Oxocyclohexyl)-1h-isoindole-1,3(2h)-dione

CAS No. 104618-32-8

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