20413-05-2

Basic information

• Product Name: (2E)-3-phenyl-2-(phenylcarbonyl)prop-2-enenitrile
• Synonyms: (2E)-2-Benzoyl-3-phenylacrylonitrile; 2-Benzoyl-3-phenylacrylonitrile; benzenepropanenitrile, beta-oxo-alpha-(phenylmethylene)-, (alphaE)-
• CAS NO: 20413-05-2
• Molecular Formula: C₁₆H₁₁NO
• Molecular Weight: 233.2646
• Mol File: 20413-05-2.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 397.4°C at 760 mmHg
• Flash Point: 194.1°C
• Density: 1.169g/cm³
• Vapor Pressure: 1.6E-06mmHg at 25°C
• Refractive Index: 1.635
• CAS DataBase Reference: (2E)-3-phenyl-2-(phenylcarbonyl)prop-2-enenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (2E)-3-phenyl-2-(phenylcarbonyl)prop-2-enenitrile(20413-05-2)
• EPA Substance Registry System: (2E)-3-phenyl-2-(phenylcarbonyl)prop-2-enenitrile(20413-05-2)

Safety Data

• Hazardous Substances Data: 20413-05-2(Hazardous Substances Data)

Usage

General Description

(2E)-3-phenyl-2-(phenylcarbonyl)prop-2-enenitrile, also known as benzylidene malononitrile, is a chemical compound with the molecular formula C17H11N. It is a yellow solid that is widely used in organic synthesis as a reactant in the preparation of various compounds, including heterocycles and pharmaceuticals. Benzylidene malononitrile is known for its ability to undergo various chemical reactions, such as Knoevenagel condensation and Michael addition, which makes it a versatile building block in organic chemistry. It is also used as a fluorescent probe for the detection of cysteine in biological samples, making it useful in biochemical research. However, benzylidene malononitrile is a hazardous chemical and should be handled with care due to its toxicity and potential health hazards.

Upstream product

• 614-16-4 Benzoylacetonitrile 
• 100-52-7 benzaldehyde 
• 13909-34-7 N-benzylidenephenylsulfonamide 
• 93-89-0 benzoic acid ethyl ester 
• 35572-06-6 2-benzyl-3-(phenyl)-3-oxopropanenitrile 
• 645-59-0 dihydrocinnamonitrile 
• 70-11-1 α-bromoacetophenone 
• 14441-90-8 5-phenyl-3-isoxazolecarboxylic acid 
• 37854-15-2 2-bromo-3-phenyl-2-propenenitrile 
• 98-88-4 benzoyl chloride 

Downstream Products

• 4369-55-5 3-phenyl-isoxazol-5-ylamine 
• 932-90-1 Benzaldoxime 
• 1572-10-7 3⁽⁵⁾-phenylpyrazol-5⁽³⁾-amine 
• 28867-76-7 benzaldehyde benzylidenehydrazone 
• 54459-76-6 2-Hydroxy-4-oxo-2,6-diphenyl-cyclohexanecarbonitrile 
• 54459-80-2 3-Phenyl-4-benzoylglutaramidsaeure 
• 85156-30-5 5-Cyano-3,4,6-triphenylisoxazolo<4,3-b>pyridine 
• 86625-29-8 1,2-Dihydro-4,6-diphenyl-2-thioxo-3,5-pyridinedicarbonitrile 
• 86625-34-5 4,4',6,6'-Tetraphenyl-2,2'-dithiobis(3,5-pyridinedicarbonitrile) 
• 75238-88-9 3-carbamoyl-5-cyano-6-hydroxy-4,6-diphenylpiperidin-2-one 
• 61378-38-9 2,4,6-triphenyl-1,4-dihydropyridine-3,5-dicarbonitrile 
• 95104-53-3 4,6-Diphenyl-5-benzoyl-5-cyano-2-thioxohexahydropyrimidine 
• 95104-57-7 5-Benzoyl-2-oxo-4,6-diphenyl-hexahydro-pyrimidine-5-carbonitrile 
• 95104-61-3 4,6-Diphenyl-5-cyano-4-hydroxy-2-thioxopyrimidine 

Relevant articles and documents

Mild Darzens Annulations for the Assembly of Trifluoromethylthiolated (SCF3) Aziridine and Cyclopropane Structures

We report mild new annulation approaches to trisubstituted trifluoromethylthiolated (SCF3) aziridines and cyclopropanes via Darzens inspired protocols. The products of these anionic annulations, rarely studied previously, possess attractive features rendering them valuable building blocks for synthesis platforms. In this study, trisubstituted acetophenone nucleophiles bearing SCF3 and bromine substituents in their α position were shown to undergo [2 + 1] annulations with vinyl ketones and tosyl-protected imines under mild reaction conditions.

Substituent-Controlled Divergent Cascade Cycloaddition Reactions of Chalcones and Arylalkynols: Access to Spiroketals and Oxa-Bridged Fused Heterocycles

Herein, we report substituent-controlled divergent cascade cycloaddition reactions of chalcones and arylalkynols in the presence of PtI2. Depending on the substituent on the chalcone, either spiroketals or oxa-bridged fused heterocycles could be obtained in the ranges of 86–97% and 87–95% yields under identical reaction conditions. Control experiments were carried out to elucidate the origin of the high chemoselectivity. These provide a method for the synthesis of a diverse array of structurally complex oxygen-containing heterocycles. (Figure presented.).

HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING SAME

The present specification relates to a hetero-cyclic compound and an organic light emitting device comprising the same.