602-98-2

Basic information

• Product Name: 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione
• Synonyms: 3-Benzoyl-6-phenyl-pyran-2,4-dione
• CAS NO: 602-98-2
• Molecular Formula: C₁₈H₁₂O₄
• Molecular Weight: 292.2855
• Mol File: 602-98-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 494.3°C at 760 mmHg
• Flash Point: 221.2°C
• Density: 1.31g/cm³
• Vapor Pressure: 6.52E-10mmHg at 25°C
• Refractive Index: 1.622
• CAS DataBase Reference: 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione(602-98-2)
• EPA Substance Registry System: 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione(602-98-2)

Safety Data

• Hazardous Substances Data: 602-98-2(Hazardous Substances Data)

Upstream product

• 60-29-7 diethyl ether 
• 504-64-3 carbon suboxide 
• 53454-78-7 1,6-diphenyl-hexane-1,3,4,6-tetraone 
• 94-02-0 ethyl 3-oxo-3-phenylpropionate 
• 546-67-8 lead(IV) tetraacetate 
• 64-19-7 acetic acid 
• 1660-04-4 1-acetyladamantane 
• 55991-67-8 5-phenylfuran-2,3-dione 
• 5122-82-7 1-adamantyl bromomethyl ketone 
• 59987-75-6 α-Nitroxymethyl 1-adamantyl ketone 
• 23532-68-5 1-(adamantan-1-yl)-2-bromoethanone 
• 69752-09-6 α-Bromomethyl 3-nitroxy-1-adamantyl ketonme 
• 55982-65-5 α-Bromomethyl 3-bromo-1-adamantyl ketone 
• 84401-61-6 α-Nitroxymethyl 3-nitro-1-adamantyl ketone 

Downstream Products

• 110654-21-2 3-benzoyl-4-methoxy-6-phenyl-pyran-2-one 
• 860750-26-1 3-benzoyl-6-phenyl-1-ureido-1H-pyridine-2,4-dione 
• 27412-71-1 5-phenyl-1H-pyrazol-3(2H)-one 
• 4743-94-6 6-phenyl-2,4-dioxopyran 
• 1029-94-3 2,6-diphenyl-pyran-4-one 
• 614-20-0 3-oxo-3-phenylpropionic acid 
• 101152-88-9 4-oxo-2,6-diphenyl-4H-pyran-3-carboxylic acid 
• 98-86-2 acetophenone 
• 5526-43-2 5-phenyl-3,5-dioxo-1-pentanoic acid 
• 65-85-0 benzoic acid 
• 64-19-7 acetic acid 
• 15719-64-9 methylammonium carbonate 
• 4225-43-8 2-methoxy-6-phenyl-pyran-4-one 

Relevant articles and documents

Flash flow pyrolysis: Mimicking flash vacuum pyrolysis in a high-temperature/high-pressure liquid-phase microreactor environment

Flash vacuum pyrolysis (FVP) is a gas-phase continuous-flow technique where a substrate is sublimed through a hot quartz tube under high vacuum at temperatures of 400-1100 °C. Thermal activation occurs mainly by molecule-wall collisions with contact times in the region of milliseconds. As a preparative method, FVP is used mainly to induce intramolecular high-temperature transformations leading to products that cannot easily be obtained by other methods. It is demonstrated herein that liquid-phase high-temperature/high- pressure (high-T/p) microreactor conditions (160-350 °C, 90-180 bar) employing near- or supercritical fluids as reaction media can mimic the results obtained using preparative gas-phase FVP protocols. The high-T/p liquid-phase "flash flow pyrolysis" (FFP) technique was applied to the thermolysis of Meldrum's acid derivatives, pyrrole-2,3-diones, and pyrrole-2-carboxylic esters, producing the expected target heterocycles in high yields with residence times between 10 s and 10 min. The exact control over flow rate (and thus residence time) using the liquid-phase FFP method allows a tuning of reaction selectivities not easily achievable using FVP. Since the solution-phase FFP method does not require the substrate to be volatile any more -a major limitation in classical FVP-the transformations become readily scalable, allowing higher productivities and space-time yields compared with gas-phase protocols. Differential scanning calorimetry measurements and extensive DFT calculations provided essential information on pyrolysis energy barriers and the involved reaction mechanisms. A correlation between computed activation energies and experimental gas-phase FVP (molecule-wall collisions) and liquid-phase FFP (molecule-molecule collisions) pyrolysis temperatures was derived.