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1,2-Dihydro-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile is a complex organic chemical compound with the molecular formula C14H10N2O. It is a derivative of pyridine, featuring a phenyl group attached to the 6th position and a carbonitrile group at the 3rd position. 1,2-DIHYDRO-4-METHYL-2-OXO-6-PHENYLPYRIDINE-3-CARBONITRILE is characterized by its 1,2-dihydro structure, which means it has two hydrogen atoms attached to the carbon atoms at the 1st and 2nd positions, and a 4-methyl group, indicating a methyl group attached to the 4th position. The 2-oxo part of the name signifies the presence of a carbonyl group (C=O) at the 2nd position. 1,2-DIHYDRO-4-METHYL-2-OXO-6-PHENYLPYRIDINE-3-CARBONITRILE is likely to be used in the synthesis of pharmaceuticals, agrochemicals, or other specialty chemicals due to its unique structure and functional groups.

4240-97-5

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4240-97-5 Usage

Chemical Class

Pyridine derivative

Usage

Organic synthesis and medicinal chemistry

Potential Applications

Antiviral and antitumor agent

Chemical Structure

Pyridine ring
Methyl group (-CH3) as a substituent
Carbonyl group (C=O) as a substituent
Phenyl group (C6H5) as a substituent
Nitrile group (C≡N) as a substituent

Nitrile Group

Makes the compound potentially useful for further chemical modifications to develop new drugs or biologically active compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 4240-97-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,2,4 and 0 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4240-97:
(6*4)+(5*2)+(4*4)+(3*0)+(2*9)+(1*7)=75
75 % 10 = 5
So 4240-97-5 is a valid CAS Registry Number.

4240-97-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 6-phenyl-4-methyl-3-cyano-2-pyridone

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:4240-97-5 SDS

4240-97-5Relevant academic research and scientific papers

Synthesis and luminescent properties and theoretical investigation on electronic structure of nitrile-based 2-pyridone molecules

Chen, Liuqing,Liu, Xuguang,Xu, Bingshe,Sun, Chunyan,Tao, Peng

, p. 1926 - 1930 (2011)

3-Cyano-4,6-dimethyl-2-pyridone and 3-cyano-4-methyl-6-phenyl-2-pyridone were synthesized effectively by the reaction of readily available 1,3-diketone and malononitrile directly and in good yield. Upon photoexcitation, 3-cyano-4-methyl-6-phenyl-2-pyridone in ethanol shows strong blue emission. The ground- and excited-state geometries, charge distributions, and excitation energies of 2-pyridone derivatives were evaluated by ab initio calculations. Organic light-emitting diodes (OLED) made using 3-cyano-4-methyl-6-phenyl-2- pyridone as dopant showed blue light emission with a maximum electroluminescence (EL) emission at around 456 nm.

Discovery of quinolone derivatives as antimycobacterial agents

Gao, Chao,Li, Xiao,Liu, Kun-Lin,Teng, Fei,Xiong, Lu,Yu, Luo-Ting

, p. 24095 - 24115 (2021/07/29)

Tuberculosis (TB), an infectious disease caused byMycobacterium tuberculosis(M. tuberculosis), is an important public health issue. Current first-line drugs administered to TB patients have been in use for over 40 years, whereas second-line drugs display strong side effects and poor compliance. Additionally, designing effective regimens to treat patients infected with multi- and extremely-drug-resistant (MDR and XDR) strains of TB is challenging. In this report, we screened our compound library and identified compound1with antituberculosis activity and a minimal inhibitory concentration (MIC) againstM. tuberculosisof 20 μg mL?1. Structure optimization and the structure-activity relationship of1as the lead compound enabled the design and synthesis of a series of quinolone derivatives,6a1-6a2,6b1-6b36,6c1,6d1-6d14,7a1-7a2,7b1-7b2,7c1,8a1-8a5,9a1-9a4and10a1-10a6. These compounds were evaluatedin vitrofor anti-tubercular activity against theM. tuberculosisH37Rv strain. Among them, compounds6b6,6b12and6b21exhibited MIC values in the range of 1.2-3 μg mL?1and showed excellent activity against the tested MDR-TB strain (MIC: 3, 2.9 and 0.9 μg mL?1, respectively). All three compounds were non-toxic toward A549 and Vero cells (>100 and >50 μg mL?1, respectively). In addition, an antibacterial spectrum test carried out using compound6b21showed that this compound specifically inhibitsM. tuberculosis. These can serve as a new starting point for the development of anti-TB agents with therapeutic potential.

Synthesis and Photophysical Properties of 3-Amino-4-arylpyridin-2(1 H)-ones

Abramov, Anton A.,Chernenko, Sergey A.,Fisyuk, Alexander S.,Kostyuchenko, Anastasia S.,Shatsauskas, Anton L.

, p. 227 - 238 (2019/12/28)

A method has been developed for the preparation of oxazolo-[5,4- b ]pyridin-2(1 H)-ones based on the Hoffmann reaction of 2-oxo-1,2-dihydropyridine-3-carboxamides. Hydrolysis of oxazolo[5,4- b ]pyridin-2(1 H)-ones and the Hoffmann reaction of 2-oxo-1,2-dihydropyridine-3-carboxamides yielded 3-aminopyridin-2(1 H)-ones, including 4-aryl substituted derivatives in the series, for which effective phosphors with a quantum yield of up to 0.78 were detected. Photophysical properties of 3-aminopyridin-2(1 H)-ones were studied by UV and luminescence spectroscopy methods, and the relationship between their structure and photophysical properties was revealed.

Green Synthetic Approach and Antimicrobial Evaluation for Some Novel Pyridyl Benzoate Derivatives

Eldeab

, p. 1034 - 1040 (2019/09/06)

Two series of substituted pyridyl 4-chlorobenzoates have been synthesized by microwave-assisted condensation of the corresponding 2-oxo-1,2-dihydropyridine-3-carbonitriles with 4-chlorobenzoyl chloride under solvent-free conditions. Alternatively, some compounds have also been prepared by conventional heating in methylene chloride in the presence of triethylamine. The structure of the synthesized compounds has been confirmed by spectral data (FTIR, 1D and 2D NMR). The new pyridyl benzoates were evaluated for antibacterial activity against gram-negative and gram-positive bacteria. The activity of 3-cyano-5-[(4-hydroxyphenyl)diazenyl]-4-methyl-6-phenylpyridin-2-yl 4-chlorobenzoate against gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus) was comparable to that of amikacin used as standard antibiotic.

Design and synthesis of 2-pyridone based flexible dimers and their conformational study through X-ray diffraction and density functional theory: Perspective of cyclooxygenase-2 inhibition

Rai, Sunil K.,Khanam, Shaziya,Khanna, Ranjana S.,Tewari, Ashish K.

, p. 1430 - 1439 (2015/05/20)

This paper describes the results of X-ray crystallography of 4-methyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile (1) and its propylene bridged dimers 2 and 3. Influence of inter- and intramolecular interactions on the conformation of propylene link

Discovery and structure-activity relationships study of novel thieno[2,3-b]pyridine analogues as hepatitis C virus inhibitors

Wang, Ning-Yu,Zuo, Wei-Qiong,Xu, Ying,Gao, Chao,Zeng, Xiu-Xiu,Zhang, Li-Dan,You, Xin-Yu,Peng, Cui-Ting,Shen, Yang,Yang, Sheng-Yong,Wei, Yu-Quan,Yu, Luo-Ting

, p. 1581 - 1588 (2014/03/21)

Current treatment for hepatitis C is barely satisfactory, there is an urgent need to develop novel agents for combating hepatitis C virus infection. This study discovered a new class of thieno[2,3-b]pyridine derivatives as HCV inhibitors. First, a hit compound characterized by a thienopyridine core was identified in a cell-based screening of our privileged small molecule library. And then, structure activity relationship study of the hit compound led to the discovery of several potent compounds without obvious cytotoxicity in vitro (12c, EC50 = 3.3 μM, SI >30.3, 12b, EC50 = 3.5 μM, SI >28.6, 10l, EC50 = 3.9 μM, SI >25.6, 12o, EC 50 = 4.5 μM, SI >22.2, respectively). Although the mechanism of them had not been clearly elucidated, our preliminary optimization of this class of compounds had provided us a start point to develop new anti-HCV agents.

Synthesis of a new series of pyridine and fused pyridine derivatives

Al-Issa, Siham Abdulrahman

, p. 10902 - 10915 (2012/11/07)

The reaction of 4-methyl-2-phenyL-1,2-dihydro-6-oxo-5-pyridine- carbonitrile (1) with arylidene malononitrile afforded isoquinoline derivatives 2a,b. 6-Chloro-4- methyl-2-phenyl-5-pyridinecarbonitile (3) obtained by chlorination of compound 1 with phosphoryl chloride was converted into 6-amino-4-methyl-2-phenyl-5-pyridinecarbonitrile (4) and 6-hydrazido-4-methyl-2- phenyl-5-pyridinecarbonitrile (5) in good yield, through reactions with ammonium acetate and hydrazine hydrate, respectively. Treatment of 4 with ethyl acetoacetate, acetic anhydride, formic acid, urea and thiourea gave the corresponding pyrido [2,3-d] pyrimidine derivatives 7-10a,b. A new series of 6-substituted-4-methyl-2- phenyl-5-pyridine carbonitriles 11-13 has been synthesized via reaction of 4 with phenyl isothiocyanate, benzenesulphonyl chloride and acetic anhydride. Treatment of 4 with malononitrile gave 1,8-naphthyridine derivative 14. The reactivity of hydrazide 5 towards acetic acid, phenylisothiocyanate and methylacrylate to give pyrazolo-[3,4-b]-pyridine derivatives 15-17 was studied. Treatment of 5 with acetic anhydride, phthalic anhydride and carbon disulphide gave pyridine derivatives 18,19 and 1,2,4-triazolo-[3,4-a]-pyridine derivative 20.

KAl(SO4)2·12H2O catalyzed efficient synthesis of 3,4,6-trisubstituted 2-pyridone in water

Heravi, Majid M.,Oskooie, Hossein A.,Karimi, Narges,Hamidi, Hoda

experimental part, p. 1059 - 1062 (2012/06/01)

An efficient green protocol for the preparation 3,4,6-trisubstituted 2-pyridone of employing a condensation reaction of cyanoacetamide and acetylacetone in the presence of KAl(SO4)2·12H 2O in water has been described. The present procedure offers advantage such as shorter reaction time, simple workup, and excellent yields.

Reactions of 3-aryl-1-methyl-1,3-diketones with cyanoacetamide catalyzed by lipase from Candida cylindracea: Part II

Mijin, Dusan Z.,Misic-Vukovic, Milica M.

, p. 348 - 350 (2007/10/02)

Lipase from Candida cylindracea has been used to synthesize 4,6-(methyl, aryl-disubstituted)-3-cyano-2-pyridones (2) by condensation of 3-aryl-1-methyl-1,3-diketones (1) with cyanoacetamide in water at 40 deg C.Synthesis has been performed in an excess of

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