5-Formylnicotinonitrile

Name: 5-Formylnicotinonitrile
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 70416-53-4
Cat. No. CS-W018650
Purity≥97%
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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General Information

CAS No. 70416-53-4
Cat. No. CS-W018650
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄N₂O
Molecular Weight 132.12
Synonym(s) 5-FORNYL-3-PYRIDINECARBONITRILE
SMILES O=CC1=CN=CC(=C1)C#N

Description

5-Formylnicotinonitrile features a pyridine core bearing both aldehyde and nitrile functionalities, enabling dual reactivity in synthetic transformations. This electron-deficient heterocycle integrates readily into complex molecular architectures, particularly in medicinal chemistry scaffolds and functional materials. The formyl group facilitates nucleophilic additions and condensation reactions, while the nitrile serves as a handle for further derivatization. Bench-stable under standard conditions, it offers reliable access to diverse substituted pyridines.

Application

5-Formylnicotinonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to heterocyclic scaffolds via nucleophilic addition and condensation reactions. The orthogonal functionality of the aldehyde and nitrile groups facilitates sequential transformations, including imine formation, cyclization, and functional group interconversion. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for medicinal chemistry and process development workflows.

Synthesis

Route1
- In-stock
  
  135124-71-9
- ~56%
- In-stock
  
  70416-53-4
References
- Cytovia, Inc. Patent: US2006/104998 A1, 2006 ; Location in patent: Page/Page column 16 ; US 20060104998 A1
Route2
- 70416-52-3
- ~89%
- In-stock
  
  70416-53-4
References
- Merck and Co., Inc. Patent: US4279913 A1, 1981 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
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 53.75
LogP 0.76578
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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5-Formylnicotinonitrile

CAS No. 70416-53-4

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