Lot numbers can be found on the outside label of a product:
4-Methyl-5-nitropyridin-2(1H)-one
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CAS No. 21901-41-7
- Cat. No. CS-W002059
- Purity≥96%
- MDL No.MFCD00010690
*For research and further manufacturing use only, not for direct human use.
Structure of 21901-41-7
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General Information
- CAS No. 21901-41-7
- Cat. No. CS-W002059
- Purity ≥96%
- MDL No. MFCD00010690
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆N₂O₃
- Molecular Weight 154.12
- Synonym(s) 5-Nitro-4-picolin-2-ol
- SMILES O=C1C=C(C)C([N+]([O-])=O)=CN1
Description
4-Methyl-5-nitropyridin-2(1H)-one features a fused heterocyclic core with a methyl group at the 4-position and a nitro substituent at the 5-position, delivering enhanced electron-withdrawing character. This configuration supports stable integration into pharmaceutical intermediates and functional materials, offering improved reactivity in nucleophilic substitution and coupling processes under standard conditions.
Application
4-Methyl-5-nitropyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling the construction of nitrogen-containing heterocycles via standard functional group manipulations. The nitro group facilitates reduction to an amine for downstream coupling or cyclization, while the pyridinone core provides a stable scaffold with moderate polarity, aiding purification and crystallization. Bench-stable and compatible with common reaction conditions, it functions effectively in multistep synthesis workflows requiring regioselective transformations.
Synthesis
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Route1
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In-stock
6635-90-1 - ~84%
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In-stock
21901-41-7
References
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Phenex Pharmaceuticals AG Patent: EP1894924 A1, 2008 ; Location in patent: Page/Page column 33 ;
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Route2
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In-stock
21901-40-6 - ~62%
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In-stock
21901-41-7
References
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Beijing Yiling Bioengineering Co., Ltd. Patent: EP2366691 A1, 2011 ; Location in patent: Page/Page column 13 ;
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Route3
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In-stock
695-34-1 - ~%
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In-stock
21901-41-7
References
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Journal of the Chemical Society, , p. 2448,2455
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 76
- LogP 0.59152
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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