6544-76-9

Basic information

• Product Name: 7H-Furo[3,2-f][1]benzopyran-7-one
• Synonyms: 7H-Furo[3,2-f][1]benzopyran-7-one;Isopseudopsoralen
• CAS NO: 6544-76-9
• Molecular Formula: C11H6O3
• Molecular Weight: 186.1635
• Mol File: 6544-76-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 147-148 °C
• Boiling Point: 362.6°Cat760mmHg
• Flash Point: 173.1°C
• Appearance: /
• Density: 1.389g/cm³
• Vapor Pressure: 1.91E-05mmHg at 25°C
• Refractive Index: 1.667
• CAS DataBase Reference: 7H-Furo[3,2-f][1]benzopyran-7-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7H-Furo[3,2-f][1]benzopyran-7-one(6544-76-9)
• EPA Substance Registry System: 7H-Furo[3,2-f][1]benzopyran-7-one(6544-76-9)

Safety Data

• Hazardous Substances Data: 6544-76-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H6O3/c12-11-4-1-7-8-5-6-13-9(8)2-3-10(7)14-11/h1-6H

Upstream product

• 1194586-49-6 C₁₁H₁₀O₂ 
• 184352-16-7 6-Methoxymethoxy-5-vinyl-chromen-2-one 
• 57114-11-1 5-allyl-6-hydroxy-2H-chromen-2-one 
• 6093-68-1 6-hydroxycoumarin 
• 35924-42-6 6-(allyloxy)-2H-chromen-2-one 

Downstream Products

• 80673-12-7 2-Nitro-furo[3,2-f]chromen-7-one 

Relevant articles and documents

Electrocyclization of cis-dienals in organic synthesis: A new and versatile synthetic method for the preparation of aryl- and heteroaryl-fused coumarins

Benzo-, furo-, thieno-, and pyrido[f]coumarins were prepared by generating the 2H-pyran-2-one moieties from the oxidation of the corresponding 2H-pyran rings, which were formed in situ from the electrocyclization of cis-dienals.

13C-NMR Spectra and Carbon-Proton Coupling Constants of Variously Annulated Furocoumarins

The 13C-nmr spectra of variously annulated methylfurocoumarins are reported.The assignemnts of chemical shifts for all the C resonances has been achieved by using carbon-proton coupling constants, relaxation efficiency considerations and shift effects caused by the introduction of methyl groups at various positions of the furocoumarin nucleus.Substituent effects on 13C chemical shifts and carbon-proton coupling constants are discussed.