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3-Benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione is a complex organic compound with the molecular formula C20H12O5. It is a derivative of the pyran-2,4-dione class of compounds, characterized by a pyran ring fused with a dione group. The molecule features a benzoyl group (a benzene ring with a carbonyl group) at the 3-position and a phenyl group (a benzene ring) at the 6-position. 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione is known for its potential applications in the synthesis of various pharmaceuticals and other organic compounds due to its unique structure and reactivity. It is typically synthesized through multi-step organic reactions and is used as an intermediate in the preparation of more complex molecules. The compound's properties, such as its solubility and stability, can be influenced by the presence of the benzoyl and phenyl groups, making it a subject of interest in organic chemistry research.

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  • 602-98-2 Structure
  • Basic information

    1. Product Name: 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione
    2. Synonyms: 3-Benzoyl-6-phenyl-pyran-2,4-dione
    3. CAS NO:602-98-2
    4. Molecular Formula: C18H12O4
    5. Molecular Weight: 292.2855
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 602-98-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 494.3°C at 760 mmHg
    3. Flash Point: 221.2°C
    4. Appearance: N/A
    5. Density: 1.31g/cm3
    6. Vapor Pressure: 6.52E-10mmHg at 25°C
    7. Refractive Index: 1.622
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione(602-98-2)
    12. EPA Substance Registry System: 3-benzoyl-6-phenyl-2H-pyran-2,4(3H)-dione(602-98-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 602-98-2(Hazardous Substances Data)

602-98-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 602-98-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,0 and 2 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 602-98:
(5*6)+(4*0)+(3*2)+(2*9)+(1*8)=62
62 % 10 = 2
So 602-98-2 is a valid CAS Registry Number.

602-98-2Relevant articles and documents

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

Cantillo, David,Sheibani, Hassan,Kappe, C. Oliver

supporting information; experimental part, p. 2463 - 2473 (2012/05/20)

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.

CHEMISTRY OF OXALYL DERIVATIVES OF METHYL KETONES. 28. REACTION OF CARBONYL COMPOUNDS OF ADAMANTANE WITH 5-PHENYL-2,3-DIHYDROFURAN-2,3-DIONE

Andreichikov, Yu. S.,Sivkova, M. P.,Shapet'ko, N. N.

, p. 1008 - 1011 (2007/10/02)

The reaction of substituted methyl 1-adamantyl ketones with an equimolar amount of 5-phenyl-2,3-dihydrofuran-2,3-dione under the conditions of the thermal decarbonylation of the latter leads to the corresponding 2-methyl-2-adamantyl-6-phenyl-1,3-dioxen-4-ones, 6-phenyl-3-benzoyl-2,4-dione, and the starting ketones.The steric and electronic factors that affect the yields of the dioxen-4-ones were examined. α-Hydroxymethyl 1-adamantyl ketones open up the furan ring to give 1-adamantoyl-methyl benzoylpyruvate.Data from the IR, PMR, and UV spectra are presented.

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