2,3-Dihydro-1-oxo-1H-indene-5-carbonitrile

Name: 2,3-Dihydro-1-oxo-1H-indene-5-carbonitrile
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CAS No. 25724-79-2
Cat. No. CS-W023175
Purity≥95%
MDL No.MFCD08234685

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Excepted Quantity	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2,3-Dihydro-1-oxo-1H-indene-5-carbonitrile|CS-W023175

Structure of 25724-79-2

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General Information

CAS No. 25724-79-2
Cat. No. CS-W023175
Purity ≥95%
MDL No. MFCD08234685
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₇NO
Molecular Weight None
Synonym(s) 5-Cyano-1-indanone
SMILES N#CC1=CC=C(C2=O)C(CC2)=C1

Description

2,3-Dihydro-1-oxo-1H-indene-5-carbonitrile features a fused bicyclic core with a ketone and nitrile group in close proximity, enabling strategic participation in cycloaddition and nucleophilic addition reactions. The electron-deficient indenone scaffold facilitates conjugate additions, while the carbonitrile group serves as a handle for further functionalization under mild conditions. Bench-stable and moisture-tolerant, this compound integrates efficiently into synthetic sequences requiring precise stereocontrol.

Application

2,3-Dihydro-1-oxo-1H-indene-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted indenone scaffolds. Its conjugated enone and nitrile functionalities facilitate nucleophilic additions, Michael reactions, and cyclization cascades under mild conditions. Bench-stable and readily purified by recrystallization, it functions effectively in multistep syntheses requiring orthogonal reactivity and functional group tolerance.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 40.86
LogP 1.68718
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,3-Dihydro-1-oxo-1H-indene-5-carbonitrile

CAS No. 25724-79-2

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