147666-80-6

Basic information

• Product Name: thunberginol A
• Synonyms: thunberginol A
• CAS NO: 147666-80-6
• Molecular Formula: C₁₅H₁₀O₅
• Molecular Weight: 270.2369
• Mol File: 147666-80-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 564.7°Cat760mmHg
• Flash Point: 220.7°C
• Appearance: /
• Density: 1.548g/cm³
• Vapor Pressure: 2.34E-13mmHg at 25°C
• Refractive Index: 1.732
• CAS DataBase Reference: thunberginol A(CAS DataBase Reference)
• NIST Chemistry Reference: thunberginol A(147666-80-6)
• EPA Substance Registry System: thunberginol A(147666-80-6)

Safety Data

• Hazardous Substances Data: 147666-80-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H10O5/c16-10-5-4-8(6-12(10)18)13-7-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H

Upstream product

• 507480-02-6 5-(bromomethyl)-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one 
• 63458-98-0 1-(3,4-dimethoxyphenyl-)-4,4,4-trifluorobutane-1,3-dione 
• 217813-03-1 3-methoxy-2-(trimethylsilyl)phenyl-trifluoromethanesulfonate 
• 151698-49-6 N,N-diethyl-2-methoxy-6-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]benzamide 
• 88430-97-1 N,N-diethyl-2-methoxy-6-methylbenzamide 
• 6967-45-9 3,4-dimethoxy-N,N-dimethylbenzamide 
• 55555-33-4 phyllodulcin 
• 183619-66-1 3-[3,4-Bis-(tert-butyl-dimethyl-silanyloxy)-phenyl]-8-(tert-butyl-dimethyl-silanyloxy)-isochroman-1-one 
• 80394-88-3 Thunberginol G 
• 155005-24-6 8,3',4'-trimethylstilbene-2-carboxylic acid 
• 183619-72-9 2-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-6-methoxy-benzoic acid methyl ester 
• 21499-23-0 phyllodulcin 
• 475630-84-3 4-iodo-3-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin 
• 139-85-5 3,4-dihydroxybenzaldehyde 

Downstream Products

• 147666-84-0 3-(3,4-dimethoxyphenyl)-8-methoxyisochromen-1-one 

Relevant articles and documents

Inhibition of the enzymes in the leukotriene and prostaglandin pathways in inflammation by 3-aryl isocoumarins

The biosynthesis of leukotrienes in one of the arachidonic acid pathways and PGE2in the other by 5-LOX and mPGES1 respectively, play pivotal roles in augmenting inflammatory responses. PGE2is known to participate in cancer pathologic

Palladium-catalyzed aryl halide carbonylation-intramolecular O-enolate acylation: Efficient isocoumarin synthesis, including the synthesis of thunberginol A

Exposure of a series of a-(o-haloaryl)-substituted ketones to palladium-catalyzed carbonylation conditions leads to the formation of the corresponding isocoumarins. Balloon pressure of CO is sufficient to achieve high yielding reactions, and both cyclic a

Regiocontrolled intramolecular cyclizations of carboxylic acids to carbon-carbon triple bonds promoted by acid or base catalyst

We systematically investigated, for the first time, the relationship between regioselectivity and acid/base effects in the cyclization reactions between carboxylic acids and carbon-carbon triple bonds. We found novel acid- and base-promoted cyclizations to selectively give isocoumarin or pyran-2(2H)-one and phthalide or furan-2(5H)-one skeletons, respectively, and established a catalytic version of regioselective heterocyclic ring synthesis. Density functional theory calculations and application to a short route to thunberginol A were also described.