Lot numbers can be found on the outside label of a product:
5-Acetylpicolinonitrile
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CAS No. 249583-84-4
- Cat. No. CS-0336224
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 249583-84-4
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General Information
- CAS No. 249583-84-4
- Cat. No. CS-0336224
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆N₂O
- Molecular Weight 146.15
- Synonym(s) 5-Acetyl-2-cyanopyridine
- SMILES CC(=O)C1=CN=C(C=C1)C#N
Description
5-Acetylpicolinonitrile features a pyridine core bearing acetyl and nitrile groups at the 5-position, enabling dual reactivity in synthetic transformations. This electron-deficient heterocycle integrates readily into complex scaffolds, serving as a key intermediate in medicinal chemistry and materials science applications.
Application
5-Acetylpicolinonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized heterocycles via cyclization and conjugate addition reactions. Its acetyl and nitrile groups provide orthogonal reactivity for selective transformations, while the picolinonitrile core enhances compatibility with transition-metal-catalyzed couplings. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in medicinal chemistry and process development.
Synthesis
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Route1
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14188-94-4 -
7677-24-9
- ~21%
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In-stock
249583-84-4
References
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Takeda Chemical Industries, Ltd. Patent: EP1424336 A1, 2004 ; Location in patent: Page 111 ;
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Route2
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84575-40-6
- ~94%
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In-stock
249583-84-4
References
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Hartmann, Rolf W.; Frotscher, Martin Archiv der Pharmazie, 1999 , vol. 332, # 10 p. 358 - 362
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Route3
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350-03-8 -
151-50-8
- ~9%
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In-stock
249583-84-4
References
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Katritzky, Alan R.; Scriven, Eric F. V.; Majumder, Suman; Tu, Hongbin; Vakulenko, Anatoliy V.; Akhmedov, Novruz G.; Murugan, Ramiah Synthesis, 2005 , # 6 art. no. M08404SS, p. 993 - 997
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H312-H332
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 53.75
- LogP 1.15588
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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