51593-70-5

Basic information

• Product Name: 1-(2H-1-Benzopyran-3-yl)ethanone
• Synonyms: 1-(2H-1-Benzopyran-3-yl)ethanone;3-Acetyl-2H-1-benzopyran;1-(2H-chromen-3-yl)ethanone(SALTDATA: FREE);1-(2H-ChroMen-3-yl)ethanone;3-Acetyl-2H-chromene;3-ACETYL-2H-CHROME
• CAS NO: 51593-70-5
• Molecular Formula: C₁₁H₁₀O₂
• Molecular Weight: 174.21
• Mol File: 51593-70-5.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 265.17°C (rough estimate)
• Flash Point: 151.1°C
• Appearance: /
• Density: 1.0844 (rough estimate)
• Vapor Pressure: 0.000392mmHg at 25°C
• Refractive Index: 1.5250 (estimate)
• CAS DataBase Reference: 1-(2H-1-Benzopyran-3-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2H-1-Benzopyran-3-yl)ethanone(51593-70-5)
• EPA Substance Registry System: 1-(2H-1-Benzopyran-3-yl)ethanone(51593-70-5)

Safety Data

• Hazardous Substances Data: 51593-70-5(Hazardous Substances Data)

Usage

Safety Profile

Moderately toxic byintraperitoneal route. A flammable liquid. When heated todecomposition it emits acrid smoke and irritating vapors.

InChI:InChI=1/C11H10O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6H,7H2,1H3

Upstream product

• 118-93-4 o-hydroxyacetophenone 
• 78-94-4 methyl vinyl ketone 
• 89-95-2 2-methyl-benzyl alcohol 
• 224317-66-2 2-(but-2-yn-1-yloxy)benzaldehyde 
• 90-02-8 salicylaldehyde 
• 57543-66-5 2H-chromene-3-carbonitrile 
• 75-16-1 methylmagnesium bromide 

Downstream Products

• 77479-42-6 C₁₈H₁₈N₂O₃S 

Relevant articles and documents

Copper-Catalyzed Asymmetric 1,2-Addition of Grignard Reagents to 3-Acyl 2 H -chromenes

Enones in which the carbon-carbon double bond is part of the pharmacologically important 2 H -chromene (2 H -1-benzopyran) nucleus undergo asymmetric copper-catalyzed 1,2-addition of Grignard reagents. High yields and enantiomeric excesses up to 84% are o

Catalytical promiscuity of α-amylase: Synthesis of 3-substituted 2H-chromene derivatives via biocatalytic domino oxa-Michael/aldol condensations

An facile and green one-pot route has been developed for the synthesis of chromenes using salicylaldehyde and α,β-unsaturated ketones. α-Amylase from Bacillus subtilis shows excellent catalytic activity and exerts good adaptability to different substrates in the reaction. This promiscuous enzyme-catalyzed domino reaction not only extends the application of α-amylase from B. subtilis for new chemical transformations, but also provided an alternative synthetic method for 2H-chromene derivatives.

Barluenga's reagent with HBF4 as an efficient catalyst for alkyne-carbonyl metathesis of unactivated alkynes

Barluenga's reagent (IPy2BF4, Py = pyridine) treated with HBF4 efficiently catalyzes the inter- and intramolecular alkyne-carbonyl metathesis of unactivated alkynes with aldehydes or ketones, most of which proceed at room temperature. This work represents the first catalytic application of the Barluenga's reagent.