56221-42-2

Basic information

• Product Name: 1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE
• Synonyms: 1-Benzo[d][1,3]dioxol-5-ylbutane-1,3-dione;1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE
• CAS NO: 56221-42-2
• Molecular Formula: C11H10O4
• Molecular Weight: 206.19
• Product Categories: pharmacetical
• Mol File: 56221-42-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 363 °C at 760 mmHg
• Flash Point: 163.6 °C
• Appearance: /
• Density: 1.27 g/cm³
• Vapor Pressure: 1.87E-05mmHg at 25°C
• Refractive Index: 1.55
• CAS DataBase Reference: 1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE(56221-42-2)
• EPA Substance Registry System: 1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE(56221-42-2)

Safety Data

• Hazardous Substances Data: 56221-42-2(Hazardous Substances Data)

Usage

General Description

1-Benzo[1,3]dioxol-5-yl-butane-1,3-dione, also known as 5-Benzylidene-1,3-dioxolan-4-one, is a chemical compound with the molecular formula C11H10O3. It is a yellow crystalline solid that is commonly used in the synthesis of pharmaceutical and agrochemical compounds. This chemical is also known for its potential antifungal and antibacterial properties. Its structure contains a dioxolane ring, making it useful in various chemical reactions and organic synthesis processes. 1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE is of interest to researchers and chemists due to its versatility and potential applications in the field of medicine and agriculture.

InChI:InChI=1/C11H10O4/c1-7(12)4-9(13)8-2-3-10-11(5-8)15-6-14-10/h2-3,5H,4,6H2,1H3

Upstream product

• 4433-92-5 5-benzo[1,3]dioxol-5-yl-3,5-dioxo-pentanoic acid 
• 7732-18-5 water 
• 3162-29-6 1-(benzo[d][1,3]dioxol-6-yl)ethanone 
• 141-78-6 ethyl acetate 
• 6969-80-8 4-methoxy-6-(3',4'-(methylenedioxy)phenyl)-2H-pyran-2-one 
• 37673-10-2 2-(Benzo<1,2-d><1,3>dioxol-5-yl)-2-morpholinoacetonitril 
• 326-56-7 methyl 3,4-methylenedioxybenzoate 

Relevant articles and documents

I2-Promoted [3+2] Cyclization of 1,3-Diketones with Potassium Thiocyanate: a Route to Thiazol-2(3H)-One Derivatives

An I2-promoted strategy has been developed for the synthesis of thiazol-2(3H)-one derivatives from 1,3-diketones with potassium thiocyanate. This [3+2] cyclization reaction involves C?S and C?N bond formation and exhibits good functional group tolerance. A series of thiazol-2(3H)-one derivatives are obtained in moderate to good yields. (Figure presented.).

Propargyl bromide as an excellent α-bromoacetone equivalent: Convenient and new route to α-aroylacetones

A variety of α-aroylacetones 4a-g have been prepared in excellent yields following a new protocol wherein α-aminonitriles 1a-g as the aryl acyl anion equivalents readily react with propargyl bromide as the α-bromoacetone equivalent. The alkylated product undergoes one-pot unmasking of the keto functionality along with Markovnikov's hydration of the terminal alkyne with CuSO4·5H2O in aqueous methanol at 60 °C to furnish the desired target in excellent isolated yields.