Lot numbers can be found on the outside label of a product:
2,6-Dimethylisonicotinonitrile
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CAS No. 39965-81-6
- Cat. No. CS-W006231
- Purity≥98%
- MDL No.MFCD00152363
*For research and further manufacturing use only, not for direct human use.
Structure of 39965-81-6
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General Information
- CAS No. 39965-81-6
- Cat. No. CS-W006231
- Purity ≥98%
- MDL No. MFCD00152363
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈N₂
- Molecular Weight 132.16
- Synonym(s) 4-pyridinecarbonitrile, 2,6-dimethyl-
- SMILES N#CC1=CC(C)=NC(C)=C1
Description
2,6-Dimethylisonicotinonitrile features a sterically hindered pyridine core with nitrile and methyl groups at the 2 and 6 positions, delivering enhanced stability and tailored electronic properties. This configuration enables efficient incorporation into heterocyclic scaffolds and facilitates selective functionalization in synthetic pathways.
Application
2,6-Dimethylisonicotinonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted pyridine scaffolds through standard coupling and functionalization reactions. Its nitrile group offers high reactivity in nucleophilic additions and cyclizations, while the methyl substituents enhance stability and facilitate purification. The compound functions effectively in transition-metal-catalyzed transformations and is well-suited for scale-up due to its bench-stable nature and predictable reactivity profile.
Synthesis
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Route1
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113708-04-6 - ~%
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In-stock
39965-81-6
References
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Bolli, Martin; Lescop, Gyrille; Mathys, Boris; Mueller, Claus; Nayler, Oliver; Steiner, Beat Patent: US2011/46170 A1, 2011 ; Location in patent: Page/Page column 20 ;
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Route2
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151-50-8 -
112950-66-0
- ~41%
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In-stock
39965-81-6
References
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CYCLACEL LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED Patent: WO2008/122767 A2, 2008 ; Location in patent: Page/Page column 60-61 ;
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Route3
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In-stock
1073-23-0 -
151-50-8
- ~14%
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In-stock
39965-81-6
References
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DOV PHARMACEUTICAL, INC. Patent: WO2005/84439 A1, 2005 ; Location in patent: Page/Page column 31 ; WO 2005/084439 A1
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H301-H319
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Precautionary Statements : P264-P270-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 36.68
- LogP 1.57012
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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