Indoline-7-carbonitrile

Name: Indoline-7-carbonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 115661-82-0
Cat. No. CS-B0547
Purity≥95%
MDL No.MFCD01830669

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Structure of 115661-82-0

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General Information

CAS No. 115661-82-0
Cat. No. CS-B0547
Purity ≥95%
MDL No. MFCD01830669
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈N₂
Molecular Weight 144.17
Synonym(s) 2,3-Dihydro-1H-indole-7-carbonitrile
SMILES N#CC1=CC=CC2=C1NCC2

Description

Indoline-7-carbonitrile is a bench-stable heterocyclic building block featuring a nitrile group at the 7-position of the indoline scaffold. This electron-deficient moiety enhances reactivity in transition-metal-catalyzed couplings and facilitates downstream functionalization in synthetic medicinal chemistry.

Application

Indoline-7-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically relevant heterocyclic scaffolds. The nitrile group provides a robust handle for downstream functionalization via hydrolysis, reduction, or nucleophilic addition, while the indoline core offers structural rigidity and favorable pharmacophore properties. This compound exhibits good bench stability, facilitates straightforward purification, and demonstrates broad compatibility with standard coupling and cyclization protocols in multi-step synthesis.

Synthesis

Route1
- In-stock
  
  496-15-1
- 545-06-2
- ~59%
- In-stock
  
  115661-82-0
References
- Shionogi and Co., Ltd. Patent: US4774331 A1, 1988 ;

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 35.82
LogP 1.52628
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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Indoline-7-carbonitrile

CAS No. 115661-82-0

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