55939-28-1

Basic information

• Product Name: 6,7-DIACETOXY-4-METHYLCOUMARIN
• Synonyms: 6,7-DIACETOXY-4-METHYLCOUMARIN;6 7-DIACETOXY-4-METHYLCOUMARIN FOR &;4-Methyl-6,7-diacetoxycoumarin;4-methyl-2-oxo-2H-chromene-6,7-diyl diacetate;2H-1-benzopyran-2-one, 6,7-bis(acetyloxy)-4-methyl-;(7-acetoxy-4-methyl-2-oxo-chromen-6-yl) acetate;(7-acetyloxy-4-methyl-2-oxochromen-6-yl) acetate;(7-acetyloxy-4-methyl-2-oxo-chromen-6-yl) ethanoate
• CAS NO: 55939-28-1
• Molecular Formula: C₁₄H₁₂O₆
• Molecular Weight: 276.24
• Mol File: 55939-28-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 154 °C(Solv: benzene (71-43-2))
• Boiling Point: 448.1°Cat760mmHg
• Flash Point: 201.4°C
• Appearance: /
• Density: 1.313g/cm³
• Vapor Pressure: 3.2E-08mmHg at 25°C
• Refractive Index: 1.551
• Storage Temp.: 2-8°C
• Solubility: DMSO: soluble
• CAS DataBase Reference: 6,7-DIACETOXY-4-METHYLCOUMARIN(CAS DataBase Reference)
• NIST Chemistry Reference: 6,7-DIACETOXY-4-METHYLCOUMARIN(55939-28-1)
• EPA Substance Registry System: 6,7-DIACETOXY-4-METHYLCOUMARIN(55939-28-1)

Safety Data

• WGK Germany: 3
• F: 8-10-21
• HazardClass: IRRITANT
• Hazardous Substances Data: 55939-28-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H12O6/c1-7-4-14(17)20-11-6-13(19-9(3)16)12(5-10(7)11)18-8(2)15/h4-6H,1-3H3

Upstream product

• 23223-12-3 5-(4-Chlorophenylhydrazono)-4-(4-methoxyphenyl)glutaconic anhydride 
• 529-84-0 6,7-dihydroxy-4-methylcoumarin 
• 108-24-7 acetic anhydride 
• 533-73-3 1,2,4-Trihydroxybenzene 
• 1818-27-5 1-(2,4,5-trihydroxyphenyl)ethanone 
• 127-09-3 sodium acetate 

Downstream Products

• 529-84-0 6,7-dihydroxy-4-methylcoumarin 
• 116703-33-4 9-Allyloxy-2,7-dimethyl-dihydrofurano<2,3-h><1>-benzopyran-5(H)-one 

Relevant articles and documents

Esculetin derivatives and pharmaceutical composition

A pharmaceutical composition comprising a compound of the general formula (I): STR1 wherein R1 and R2 are, independently, a hydrogen atom, a saturated or unsaturated aliphatic acyl having 2 to 25 carbon atoms or benzoyl group and Rs

13C Nuclear Magnetic Resonance Spectroscopy of 4-Methylcoumarins (4- Methyl-2H-1-benzopyran-2-ones)

The 13C NMR spectra of 36 differently substituted 4-methylcoumarins (4-methyl-2H-1-benzopyran-2-ones) have been recorded.The effects of an alkyl side-chain at C-3 on the chemical shift values and that of a methoxy or an acetoxy group in place of a hydroxy group have been observed and rationalized.This study may be helpful in the structure elucidation of nei and natural 4-methylcoumarins. KEY WORDS 13C NMR chemical shifts 4-Methylcoumarins 4-Methyl-2H-1-benzopyran-2-ones.

Studies in Synthesis of Furocoumarins: Part XXVIII - Synthesis of Difuranocoumarins

6,7-Diallyloxy-4-methylcoumarin (I) on Claisen migration gives 8-allyl-9-hydroxy-2,7-dimethyldihydrofuranobenzopyran-5(H)-one (IIa).The structure of IIa has been confirmed by spectral data (UV, PMR) and IIa is found to be identical (m.m.p., co-TLC) with a product synthesised unambiguously starting from 6,7-diacetoxy-4-methylcoumarin.Product IIa on cyclisation with H2SO4 gives a tetrahydrodifurano derivative (III) which on dehydrogenation over 10percent Pd/C furnishes the difurano derivative (IV).Structures of all these compounds have been confirmed by their PMR spectra.