39108-47-9

Basic information

• Product Name: N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone
• Synonyms: 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitril;1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-Pyridinecarbonitrile;3-CYANO-4-METHYL-6-HYDROXY-N-BUTYL PYRIDONE;N-BUTYL-3-CYANO-4-METHYL-6-HYDROXY-2-PYRIDONE;N-BUTYL-3-CYANO-6-HYDROXY-4-METHYL-2-PYRIDONE;1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile;1-butyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;3-Pyridinecarbonitrile,1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
• CAS NO: 39108-47-9
• Molecular Formula: C₁₁H₁₄N₂O₂
• Molecular Weight: 206.24
• EINECS: 254-296-3
• Mol File: 39108-47-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 342.816 °C at 760 mmHg
• Flash Point: 161.129 °C
• Appearance: /
• Density: 1.193 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.555
• PKA: 3.87±0.58(Predicted)
• CAS DataBase Reference: N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone(CAS DataBase Reference)
• NIST Chemistry Reference: N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone(39108-47-9)
• EPA Substance Registry System: N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone(39108-47-9)

Safety Data

• Hazardous Substances Data: 39108-47-9(Hazardous Substances Data)

Usage

General Description

N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone is a chemical compound with the molecular formula C13H15N3O2. It is commonly used as a pharmaceutical intermediate and is known for its potential biological activity. This chemical has a butyl group, a cyano group, a hydroxy group, and a methyl group attached to a pyridone ring. N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone is often used in organic synthesis and medicinal chemistry research due to its unique structural features, which contribute to its potential pharmacological properties. However, further studies are needed to fully understand its potential uses and applications.

InChI:InChI=1/C11H14N2O2/c1-3-4-5-13-10(14)6-8(2)9(7-12)11(13)15/h6,14H,3-5H2,1-2H3

Upstream product

• 141-97-9 ethyl acetoacetate 
• 109-73-9 N-butylamine 
• 105-56-6 ethyl 2-cyanoacetate 
• 1001-24-7 N-butyl-3-oxobutanamide 
• 39581-21-0 cyanoacetic acid butylamide 
• 1026543-43-0 (Z)-4-Butylcarbamoyl-2-cyano-3-methyl-but-2-enoic acid ethyl ester 
• 105-45-3 acetoacetic acid methyl ester 
• 105-34-0 methyl 2-cyanoacetate 

Downstream Products

• 75199-13-2 C₂₅H₂₄N₄O₄ 
• 135680-20-5 C₁₇H₁₇N₅O₅ 

Relevant articles and documents

COLORING RESIN COMPOSITION

PROBLEM TO BE SOLVED: To solve the problem in which conventional coloring resin compositions have low coloring power, and cannot produce a deep color without increasing the film thickness of a formed color filter. SOLUTION: A coloring resin composition comprises a coloring agent and a resin, where the coloring agent contains a compound represented by the formula (I). SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

Dimerization of merocyanine dyes. Structural and energetic characterization of dipolar dye aggregates and implications for nonlinear optical materials

Aggregation of polar merocyanine dyes has been identified as an important problem in the fabrication of organic materials for photonic applications. In this work, a series of merocyanine dyes is synthesized, and their aggregation is investigated by a combination of several experimental techniques to reveal structure-property relationships. These studies provide clear evidence for the formation of centrosymmetric dimers for all investigated merocyanines in concentrated solution and in the solid state. The thermodynamics of dimerization in liquid solution is studied by concentration-dependent permittivity measurements, UV-vis spectroscopy, and electrooptical absorption experiments. A centrosymmetric dimer structure with antiparallel ordering of the dipole moments is observed in solution by 2D NMR spectroscopy as well as in the solid state by x-ray crystallography and interpreted in terms of dipolar and π-π interactions. The optical properties of the dimer aggregates are satisfactorily explained by an excitonic coupling model. The effect of an external electric field on the dimerization equilibrium is considered and quantitatively determined by electrooptical absorption measurements. Implications of the observed findings on the design of nonlinear optical and photorefractive materials are discussed.

Regioselective Conversion of 3-Cyano-6-hydroxy-2-pyridones into 3-Cyano-6-amino-2-pyridones

The reaction of a tautomeric mixture of 1-butyl-1,2-dihydroxy-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile and its 2-hydroxy-6-oxo analog with phosphorus oxychloride gave 1-butyl-6-chloro-1,2-dihydro-4-methyl-2-oxopyridine-3-carbonitrile (68percent) and 1-butyl-2-chloro-1,6-dihydro-4-methyl-6-pyridine-3-carbonitrile (3percent).Both chloropyridones were converted to their corresponding aminopyridones by reaction with liquid ammonia.Strong support for the molecular structure of 6-amino-1-butyl-1,2-dihydro-4-methyl-2-oxopyridine-3-carbonitrile was obtained on the basis of nmr techniques.