4-Hydroxy-6-methyl-3-nitropyridin-2(1H)-one

Name: 4-Hydroxy-6-methyl-3-nitropyridin-2(1H)-one
Brand: ChemScene
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CAS No. 4966-90-9
Cat. No. CS-W017708
Purity≥96%
MDL No.MFCD00167612

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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4-Hydroxy-6-methyl-3-nitropyridin-2(1H)-one|CS-W017708

Structure of 4966-90-9

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General Information

CAS No. 4966-90-9
Cat. No. CS-W017708
Purity ≥96%
MDL No. MFCD00167612
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆N₂O₄
Molecular Weight 170.12
Synonym(s) 4-Hydroxy-6-methyl-3-nitro-2-pyridone
SMILES O=C1C([N+]([O-])=O)=C(O)C=C(C)N1

Description

4-Hydroxy-6-methyl-3-nitropyridin-2(1H)-one features a conjugated nitropyridinone core with orthogonal functional groups enabling direct integration into medicinal chemistry scaffolds. The phenolic hydroxyl and methyl substituent offer sites for derivatization, while the electron-deficient pyridinone ring facilitates hydrogen bonding and targeted reactivity in synthetic transformations.

Application

4-Hydroxy-6-methyl-3-nitropyridin-2(1H)-one serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its trifunctional architecture—combining a phenolic hydroxyl, methyl group, and nitro substituent—enables diverse transformations including nucleophilic substitution, reduction of the nitro group, and derivatization of the hydroxyl moiety. The compound exhibits bench stability and facilitates efficient purification, making it well-suited for iterative synthetic campaigns in API development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

TPSA 96.23
LogP 0.29712
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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4-Hydroxy-6-methyl-3-nitropyridin-2(1H)-one

CAS No. 4966-90-9

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