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N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone is a chemical compound characterized by its molecular formula C13H15N3O2. It features a pyridone ring with a butyl, cyano, hydroxy, and methyl group attached, which endows it with unique structural features and potential biological activity. N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone is widely recognized as a pharmaceutical intermediate and is utilized in organic synthesis and medicinal chemistry research due to its promising pharmacological properties.

39108-47-9

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39108-47-9 Usage

Uses

Used in Pharmaceutical Industry:
N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone is used as a pharmaceutical intermediate for its potential to contribute to the development of new drugs. Its unique structural features allow it to be a key component in the synthesis of various medicinal compounds, enhancing their therapeutic effects and properties.
Used in Organic Synthesis:
In the field of organic synthesis, N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone is employed as a versatile building block. Its presence in the synthesis process can lead to the creation of a diverse range of organic compounds with different applications, including those with potential uses in various industries.
Used in Medicinal Chemistry Research:
N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone is utilized in medicinal chemistry research to explore its potential pharmacological properties. N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone's unique structure allows researchers to investigate its interactions with biological targets, which may lead to the discovery of new therapeutic agents or the enhancement of existing ones.

Check Digit Verification of cas no

The CAS Registry Mumber 39108-47-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,1,0 and 8 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 39108-47:
(7*3)+(6*9)+(5*1)+(4*0)+(3*8)+(2*4)+(1*7)=119
119 % 10 = 9
So 39108-47-9 is a valid CAS Registry Number.
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

39108-47-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 1-butyl-3-cyano-6-hydroxy-4-methyl-pyrid-2-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:39108-47-9 SDS

39108-47-9Relevant academic research and scientific papers

COLORING RESIN COMPOSITION

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Paragraph 0210-0211, (2020/12/23)

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

Wuerthner, Frank,Yao, Sheng,Debaerdemaeker, Tony,Wortmann, Ruediger

, p. 9431 - 9447 (2007/10/03)

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.

DMF in acetic anhydride: A useful reagent for multiple-component syntheses of merocyanine dyes

Wuerthner, Frank

, p. 2103 - 2113 (2007/10/03)

A simple and highly efficient method for the preparation of merocyanine dyes is reported from mixtures of CH-acidic heterocycles and electron-rich dialkylaminothiazoles or methylene bases and various formylating reagents without isolation of the formylated intermediates. With the particularly useful formylation-condensation system of DMF in acetic anhydride and highly acidic 1,2,5,6-tetrahydro-2,6-dioxo-3-pyridinecarbonitriles 8, the transformations could be carried out as multicomponent reactions to give pure dyes 3-6 in 50-90% yield directly from the reaction mixtures.

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

Katritzky, Alan R.,Rachwal, Stanislaw,Smith, Terrance P.

, p. 1007 - 1010 (2007/10/03)

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.

Process for the manufacture of 6-hydroxypyrid-2-ones

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, (2008/06/13)

The manufacture of 6-hydroxypyrid-2-ones is achieved by reacting a cyanoacetamide with an acetoacetic acid ester at temperatures of 50° to 200° C. and a pressure of 0.5 to 50 bars in an aqueous solution or suspension in the presence of an amine in a molar amount at least equal to that of the cyanoacetamide reactant.

Azo pyridone dyestuffs containing at least one reactive phosphoric or phosphonic acid group

-

, (2008/06/13)

Azo pyridone dyestuffs containing at least one reactive phosphoric or phosphonic acid group. The dyestuffs are characterized by the formula: wherein A is an aromatic radical containing at least one phosphoric or phosphonic acid group and R is a monovalent radical derived from a pyridone coupling component by removing a hydrogen atom attached to a ring carbon atom of the pyridone ring. The aromatic radical A is preferably a phenyl or naphthyl group. In addition to its phosphonic or phosphoric acid group or groups, radical A may be substituted with one or more halogen, alkyl, alkoxy, nitro, sulfonic acid or carboxylic acid groups. Cellulosic textiles, e.g., cotton or cotton/polyester blends, may be reactively dyed with these dyestuffs in an acid, neutral or alkaline bath using dicyandiamide or the equivalent. The phosphoric or phosphonic acid groups and the cellulosic material react to fix the dye through an ester linkage. Examples of suitable dyestuffs include those having the formula: STR1 and STR2

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