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Benzonitrile, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-, is a chemical compound with the molecular formula C14H16N2O4. It is a derivative of benzonitrile, featuring a substituted amino group attached to a dioxan-5-ylidene methyl group. This unique structure and properties make it valuable in various applications, including organic synthesis, chemical research, and potentially in pharmaceuticals and agrochemicals. However, due to its potential hazards and toxic effects, it is crucial to handle this chemical with care.

219763-81-2

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219763-81-2 Usage

Uses

Used in Organic Synthesis:
Benzonitrile, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-, is used as a building block in organic synthesis for the creation of various complex organic molecules. Its unique structure allows for versatile chemical reactions, making it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Chemical Research:
In the field of chemical research, Benzonitrile, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-, serves as a model compound for studying the properties and reactivity of similar compounds. Its unique structure provides insights into the behavior of other benzonitrile derivatives and contributes to the understanding of chemical reactions and mechanisms.
Used in Pharmaceutical Industry:
Benzonitrile, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-, may have potential applications in the pharmaceutical industry due to its unique structure and properties. It can be used as an active pharmaceutical ingredient or as a key intermediate in the synthesis of drug candidates. Its potential use in drug discovery and development is an area of ongoing research.
Used in Agrochemical Industry:
In the agrochemical industry, Benzonitrile, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-, may find applications as a component in the development of new agrochemicals, such as pesticides and herbicides. Its unique structure and properties could contribute to the creation of novel and effective agrochemicals with improved performance and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 219763-81-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,9,7,6 and 3 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 219763-81:
(8*2)+(7*1)+(6*9)+(5*7)+(4*6)+(3*3)+(2*8)+(1*1)=162
162 % 10 = 2
So 219763-81-2 is a valid CAS Registry Number.

219763-81-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzonitrile

1.2 Other means of identification

Product number -
Other names -

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:219763-81-2 SDS

219763-81-2Relevant academic research and scientific papers

A Selective and Orally Bioavailable Quinoline-6-Carbonitrile-Based Inhibitor of CDK8/19 Mediator Kinase with Tumor-Enriched Pharmacokinetics

Chen, Mengqian,Cheng, Chen,Chumanevich, Alexander A.,Gorbunova, Svetlana,Li, Jing,McInnes, Campbell,Mindich, Aleksei,Porter, Donald C.,Roninson, Igor B.,Wang, Lili,Zhang, Li

, (2022/02/16)

Senexins are potent and selective quinazoline inhibitors of CDK8/19 Mediator kinases. To improve their potency and metabolic stability, quinoline-based derivatives were designed through a structure-guided strategy based on the simulated drug–target dockin

QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19

-

Paragraph 0108-0109, (2020/03/09)

Disclosed herein are quinoline-based compounds and method for inhibiting CDK8 or CDK19 for the intervention in diseases, disorders, and conditions. The quinoline-based composition comprise substituents at quinoline ring positions 4 and 6, wherein the substituent at position 4 is selected from a substituted or unsubstituted arylalkylamine or a substituted or unsubstituted arylhetrocyclylamine. Pharmaceutical compositions comprising the substituted qunioline compositions, methods of inhibiting CDK8 or CDK19, and methods of treating CDK8/19-associated diseases, disorders, or conditions are also disclosed.

Application of Pd-Catalyzed Cross-Coupling Reactions in the Synthesis of 5,5-Dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazoles that Inhibit ALK5 Kinase

Tenora, Luká?,Galeta, Juraj,?ezní?ková, Eva,Kry?tof, Vladimír,Potá?ek, Milan

supporting information, p. 11841 - 11856 (2016/12/09)

C-H activation of position 3 of a substituted pyrazole ring catalyzed by palladium(II) was straightforward and convenient for arylated or heteroarylated 5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazoles. Moreover, we introduced simple protection of the nitrogen in the pyridin-2-yl directing group, which otherwise does not allow a cross-coupling reaction, by transformation to the N-oxide. Selected final products were reasonably selective ALK5 kinase inhibitors.

IRAK INHIBITORS AND USES THEREOF

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Paragraph 00409; 00411, (2015/11/16)

The present invention provides quinazoline and quinoline compounds, compositions thereof, and methods of using the same. Also disclosed is the activity of such compounds as inhibitors of IRAK enzymes.

Highly efficient thermal cyclization reactions of alkylidene esters in continuous flow to give aromatic/heteroaromatic derivatives

Lengyel, László,Nagy, Tibor Zs.,Sipos, Gellért,Jones, Richard,Dormán, Gy?rgy,ürge, László,Darvas, Ferenc

experimental part, p. 738 - 743 (2012/03/08)

Intramolecular thermal cyclization and benzannulation reactions of the Gould-Jacobs and Conrad-Limpach types were performed in a designed continuous flow reactor system at temperatures in the range of 300-360°C and under high pressure conditions (100-160 bar) with very short residence times (0.45-4.5 min) in tetrahydrofuran as a low-boiling point solvent. Substituted heteroaromatic compounds including pyridopyrimidinones and hydroxyquinolines were synthesized in moderate to high yields. Application of the reaction conditions also allows the synthesis of naphthol and biphenyl derivatives. The procedure involves an easy work-up and the non-batchwise preparative synthesis method is suitable for automation.

Regioselective synthesis of quinolin-4-ones by pyrolysis of anilinomethylene derivatives of Meldrum's acid

Hill, Lawrence,Imam, S. Haider,McNab, Hamish,O'Neill, William J.

experimental part, p. 1847 - 1851 (2009/12/05)

Electron-rich and electron-deficient anilinomethylene derivatives of Meldrum's acid cyclize equally efficiently to quinolin-4-ones via imidoylketene intermediates under flash vacuum pyrolysis (FVP) conditions. Georg Thieme Verlag Stuttgart.

ANTIBACTERIAL AGENTS

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Page/Page column 32, (2010/11/25)

Naphthalene, quinoline, quinoxaline and naphthyridine derivatives useful in the treatment of bacterial infections in mammals, particularly humans, are disclosed herein.

Synthesis of ring-substituted 4-aminoquinolines and evaluation of their antimalarial activities

Madrid, Peter B.,Sherrill, John,Liou, Ally P.,Weisman, Jennifer L.,DeRisi, Joseph L.,Guy, R. Kiplin

, p. 1015 - 1018 (2007/10/03)

A simple two-step synthesis method was used to make 51 B-ring-substituted 4-hydroxyquinolines allowing analysis of the effect of ring substitutions on inhibition of growth of chloroquine sensitive and resistant strains of Plasmodium falciparum, the dominant cause of malaria morbidity. Substituted quinoline rings other than the 7-chloroquinoline ring found in chloroquine were found to have significant activity against the drug-resistant strain of P. falciparum W2.

ANTIBACTERIAL COMPOUNDS

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Page 95, (2008/06/13)

Cyclohexane and cyclohexene derivatives and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly man

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