2-Oxoindoline-5-carbonitrile

Name: 2-Oxoindoline-5-carbonitrile
Brand: ChemScene
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CAS No. 61394-50-1
Cat. No. CS-0054235
Purity≥95%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 61394-50-1

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Description

2-Oxoindoline-5-carbonitrile features a fused indoline core with a ketone at the 2-position and a nitrile group at the 5-position, enabling versatile functionalization. This electron-deficient scaffold integrates readily into bioactive molecules, offering enhanced metabolic stability and favorable binding interactions in medicinal chemistry applications.

Application

2-Oxoindoline-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of diverse heterocyclic scaffolds. Its dual functionality—ketone and nitrile groups—facilitates sequential transformations, including nucleophilic additions and cyclizations, under mild conditions. The compound exhibits good bench stability and is compatible with common protecting group strategies, making it well-suited for iterative synthesis campaigns in API development.

General Information

CAS No. 61394-50-1
Cat. No. CS-0054235
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆N₂O
Molecular Weight 158.16
Synonym(s) 2-oxo-1,3-dihydroindole-5-carbonitrile
SMILES N#CC1=CC2=C(NC(C2)=O)C=C1

Computational Chemistry Data

TPSA 52.89
LogP 1.05288
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H317-H319-H335
Precautionary Statements : P260-P280-P302+P352-P304+P340

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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2-Oxoindoline-5-carbonitrile

CAS No. 61394-50-1

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