219763-81-2

Basic information

• Product Name: Benzonitrile, 4-[[(2,2-diMethyl-4,6-dioxo-1,3-dioxan-5-ylidene)Methyl]aMino]-
• Synonyms: Benzonitrile, 4-[[(2,2-diMethyl-4,6-dioxo-1,3-dioxan-5-ylidene)Methyl]aMino]-;4-(((2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)benzonitrile
• CAS NO: 219763-81-2
• Molecular Formula: C₁₄H₁₂N₂O₄
• Molecular Weight: 272.25608
• Mol File: 219763-81-2.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Benzonitrile, 4-[[(2,2-diMethyl-4,6-dioxo-1,3-dioxan-5-ylidene)Methyl]aMino]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 4-[[(2,2-diMethyl-4,6-dioxo-1,3-dioxan-5-ylidene)Methyl]aMino]-(219763-81-2)
• EPA Substance Registry System: Benzonitrile, 4-[[(2,2-diMethyl-4,6-dioxo-1,3-dioxan-5-ylidene)Methyl]aMino]-(219763-81-2)

Safety Data

• Hazardous Substances Data: 219763-81-2(Hazardous Substances Data)

Usage

General Description

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 and contains a substituted amino group attached to a dioxan-5-ylidene methyl group. Benzonitrile, 4-[[(2,2-diMethyl-4,6-dioxo-1,3-dioxan-5-ylidene)Methyl]aMino]- is commonly used in organic synthesis and chemical research, but it may also have potential applications in pharmaceuticals and agrochemicals due to its unique structure and properties. It is important to handle this chemical with care due to its potential hazards and toxic effects.

Upstream product

• 623-26-7 terephthalonitrile 
• 15568-86-2 5-(ethoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 873-74-5 4-Aminobenzonitrile 
• 2033-24-1 cycl-isopropylidene malonate 
• 149-73-5 trimethyl orthoformate 
• 122-51-0 orthoformic acid triethyl ester 
• 15568-85-1 5-methoxymethylene-2,2-dimethyl-1,3-dioxane-4,6-dione 

Downstream Products

• 219763-87-8 4-bromoquinoline-6-carboxylic acid 
• 219763-85-6 4-bromoquinoline-6-carboxylic acid methyl ester 
• 642477-82-5 4-bromoquinoline-6-carbonitrile 
• 642477-81-4 6-cyano-1H-quinolin-4-one 
• 219763-83-4 4-chloroquinoline-6-carbonitrile 
• 642477-81-4 4-Hydroxy-6-quinolinecarbonitrile 

Relevant articles and documents

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

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

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

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.

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

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.