Lot numbers can be found on the outside label of a product:
2-Amino-4-methylnicotinonitrile
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CAS No. 71493-76-0
- Cat. No. CS-0054790
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 71493-76-0
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General Information
- CAS No. 71493-76-0
- Cat. No. CS-0054790
- Purity ≥97%
- MDL No. None
- Storage 4°C, protect from light, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₇N₃
- Molecular Weight 133.15
- Synonym(s) 2-Amino-4-methylpyridine-3-carbonitrile, 2-Amino-3-cyano-4-methylpyridine
- SMILES N#CC1=C(N)N=CC=C1C
Description
2-Amino-4-methylnicotinonitrile features a conjugated nitrile group and an electron-rich amine, enabling direct integration into heterocyclic scaffolds. The methyl substituent enhances metabolic stability and modulates electronic properties. This bench-stable building block facilitates efficient access to bioactive pyridine derivatives under standard conditions.
Application
2-Amino-4-methylnicotinonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted pyridine derivatives through standard functional group transformations. Its ortho-amino and nitrile groups facilitate sequential derivatization, while the methyl substituent provides a handle for further alkylation or oxidation. The compound exhibits good bench stability and is compatible with common coupling and cyclization protocols, making it valuable for constructing heterocyclic scaffolds in API development.
Synthesis
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Route1
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65995-95-1 -
65995-94-0
- ~38%
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In-stock
71493-76-0
References
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BOEHRINGER INGELHEIM PHARMACEUTICALS INC. Patent: EP1064265 B1, 2004 ; Location in patent: Page 4 ;
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Route2
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180994-86-9
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65995-93-9 - ~%
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In-stock
71493-76-0
References
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US5532370 A1, ;
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Route3
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410547-37-4 - ~32%
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In-stock
71493-76-0
References
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Chan, David C. M.; Rosowsky, Andre Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1364 - 1368
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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#: 3439
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 62.7
- LogP 0.8439
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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