72568-47-9

Basic information

• Product Name: ETHYL 6-AMINO-5-CYANO-2-METHYL-4-PHENYL-4H-PYRAN-3-CARBOXYLATE
• Synonyms: ETHYL 6-AMINO-5-CYANO-2-METHYL-4-PHENYL-4H-PYRAN-3-CARBOXYLATE;TIMTEC-BB SBB001153;6-AMINO-5-CYANO-2-METHYL-4-PHENYL-4H-PYRAN-3-CARBOXYLIC ACID ETHYL ESTER
• CAS NO: 72568-47-9
• Molecular Formula: C₁₆H₁₆N₂O₃
• Molecular Weight: 284.31
• Mol File: 72568-47-9.mol
• Article Data: 80

Chemical Properties

• Melting Point: 189℃
• Boiling Point: 497.2°C at 760 mmHg
• Flash Point: 254.5°C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 5.04E-10mmHg at 25°C
• Refractive Index: 1.588
• CAS DataBase Reference: ETHYL 6-AMINO-5-CYANO-2-METHYL-4-PHENYL-4H-PYRAN-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 6-AMINO-5-CYANO-2-METHYL-4-PHENYL-4H-PYRAN-3-CARBOXYLATE(72568-47-9)
• EPA Substance Registry System: ETHYL 6-AMINO-5-CYANO-2-METHYL-4-PHENYL-4H-PYRAN-3-CARBOXYLATE(72568-47-9)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.
• Hazardous Substances Data: 72568-47-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H16N2O3/c1-3-20-16(19)13-10(2)21-15(18)12(9-17)14(13)11-7-5-4-6-8-11/h4-8,14H,3,18H2,1-2H3

Upstream product

• 2700-22-3 Benzylidenemalononitrile 
• 141-97-9 ethyl acetoacetate 
• 2025-40-3 ethyl benzylidenecyanoacetate 
• 89809-89-2 5-acetyl-2-amino-3-cyano-6-methyl-4-phenyl-4H-pyran 
• 620-80-4 ethyl 2-benzylidene acetoacetate 
• 109-77-3 malononitrile 
• 100-52-7 benzaldehyde 
• 123-54-6 acetylacetone 
• 15802-62-7 (Z)-ethyl 2-benzylidenacetoacetate 

Downstream Products

• 108047-53-6 6-Amino-5-(1-amino-2,2-dicyano-vinyl)-2-methyl-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester 
• 453577-83-8 ethyl 4-amino-7-methyl-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carboxylate 
• 117226-98-9 3-cyano-5-(ethoxycarbonyl)-6-methyl-4-phenyl-2H-pyran-2-one 

Relevant articles and documents

Synthesis and photoreaction of 2-amino-3-cyano-4-aryl-4H-pyrans

A series of 2-amino-3-cyano-4-aryl-4H-pyrans (1) were synthesised by reacting malononitrile, ethyl acetoacetate, and aromatic aldehydes under ultrasound irradiation. The photochemical properties, including the photostability and photoreaction of 1, were i

DFT analysis of supra-molecular assemblies of substituted 4H-pyran derivatives

This manuscript reports a theoretical characterization of two substituted pyran derivatives i.e. ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate 1 and ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate 2 using DFT calcu

First Synthesis and Structure of Ethyl 3,3,5,5-Tetracyano-2-hydroxy-2-methyl-4,6-diphenylcyclohexane-1-carboxylate

Ethyl 3,3,5,5-tetracyano-2-hydroxy-2-methyl-4,6-diphenylcyclohexane-1-carboxylate was synthesized for the first time by three-component condensation of benzaldehyde with ethyl acetoacetate and malononitrile in the presence of trichloroacetic acid. The pro

Mesoporous KIT-6 supported ionic liquids as new and highly effective heterogeneous catalysts for three-component synthesis of 2-amino-3-cyano-4H-pyrans

A series of mesoporous KIT-6 supported ionic liquids were prepared and tested as effective and practical catalysts for the synthesis of 2-amino-3-cyano-4H-pyrans. The effects of type of catalysts, catalyst amount, and catalyst stability have also been inv

One-pot synthesis of 2-amino-3-cyano-4H-pyrans and pyran-annulated heterocycles using sodium citrate as an organo-salt based catalyst in aqueous ethanol

Sodium citrate as a highly efficient catalyst is developed for the synthesis of functionalized 2-amino-3-cyano-4H-pyrans and pyran-annulated heterocycles. This method involves a one-pot three-component reaction of aromatic aldehydes, malononitrile and 1,3