6-Acetylpicolinonitrile

Name: 6-Acetylpicolinonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 159307-02-5
Cat. No. CS-0147272
Purity≥96%
MDL No.MFCD09263905

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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. 159307-02-5
Cat. No. CS-0147272
Purity ≥96%
MDL No. MFCD09263905
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆N₂O
Molecular Weight None
Synonym(s) 6-Acetyl-2-cyanopyridine
SMILES N#CC1=NC(C(C)=O)=CC=C1

Description

6-Acetylpicolinonitrile features a strategically positioned acetyl group adjacent to a nitrile moiety within a picolinonitrile scaffold, enabling facile functionalization in heterocyclic synthesis. This electron-deficient framework supports efficient coupling reactions and serves as a key intermediate in the development of bioactive nitrogen-containing compounds.

Application

6-Acetylpicolinonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine derivatives through standard functional group transformations. Its acetyl and nitrile groups exhibit orthogonal reactivity, facilitating sequential modifications under mild conditions. The compound demonstrates excellent bench stability and compatibility with common coupling and cyclization protocols, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

Route1
- 2457-50-3
- 7677-24-9
- In-stock
  
  584-08-7
- 79-44-7
- ~%
- In-stock
  
  159307-02-5
References
- Nycomed Imaging AS Patent: US5760191 A1, 1998 ;

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 53.75
LogP 1.15588
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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6-Acetylpicolinonitrile

CAS No. 159307-02-5

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