3973-56-6

Basic information

• Product Name: 1(3H)-Isobenzofuranone, 3-[(2-chlorophenyl)methylene]-
• CAS NO: 3973-56-6
• Molecular Formula: C15H9ClO2
• Molecular Weight: 256.688
• Mol File: 3973-56-6.mol
• Article Data: 10

Chemical Properties

• Melting Point: 163 °C
• Boiling Point: 405.9±45.0 °C(Predicted)
• Density: 1.381±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1(3H)-Isobenzofuranone, 3-[(2-chlorophenyl)methylene]-(CAS DataBase Reference)
• NIST Chemistry Reference: 1(3H)-Isobenzofuranone, 3-[(2-chlorophenyl)methylene]-(3973-56-6)
• EPA Substance Registry System: 1(3H)-Isobenzofuranone, 3-[(2-chlorophenyl)methylene]-(3973-56-6)

Safety Data

• Hazardous Substances Data: 3973-56-6(Hazardous Substances Data)

Usage

General Description

The chemical 1(3H)-Isobenzofuranone, 3-[(2-chlorophenyl)methylene]-, also known as 2-chlorophenyl-methylene-dihydrofuran-3(H)-one, is a compound with a molecular formula of C14H9ClO2. It is a derivative of isobenzofuranone and contains a chlorophenyl group attached to the carbon atom in the 3-position of the isobenzofuranone ring. 1(3H)-Isobenzofuranone, 3-[(2-chlorophenyl)methylene]- is commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its specific properties and applications may vary depending on the exact chemical structure and functional groups attached to the molecule.

Upstream product

• 2444-36-2 2'-chloro-benzeneacetic acid 
• 85-44-9 phthalic anhydride 
• 36136-61-5 2-chloro-2'-hydroxychalcone 
• 1183501-63-4 C₁₄H₁₀BrClO 
• 1864-94-4 phenyl formate 
• 873-31-4 2-chlorophenylacetylene 
• 88-65-3 2-bromobenzoic-acid 
• 873961-52-5 2-((2-chlorophenyl)ethynyl)benzaldehyde 

Downstream Products

• 3973-46-4 2-<2-(2-Chlor-phenyl)-aethyl>-benzoesaeure 

Relevant articles and documents

Design, synthesis and biological evaluation of substituted flavones and aurones as potential anti-influenza agents

We designed a series of substituted flavones and aurones as non-competitive H1N1 neuraminidase (NA) inhibitors and anti-influenza agents. The molecular docking studies showed that the designed flavones and aurones occupied 150-cavity and 430-cavity of H1N1-NA. We then synthesized these compounds and evaluated these for cytotoxicity, reduction in H1N1 virus yield, H1N1-NA inhibition and kinetics of inhibition. The virus yield reduction assay and H1N1-NA inhibition assay demonstrated that the compound 1f (4-methoxyflavone) had the lowest EC50 of 9.36 nM and IC50 of 8.74 μM respectively. Moreover, kinetic studies illustrated that compounds 1f and 2f had non-competitive inhibition mechanism.

Pd-free Sonogashira coupling: One pot synthesis of phthalide via domino Sonogashira coupling and 5-exo-dig cyclization

Phthalides have been synthesized exclusively in one pot via Pd-free Sonogashira coupling. A Cu-catalyzed domino Sonogashira coupling and 5-exo-dig cyclization between suitable substituted ortho-bromobenzoic acids and terminal alkynes afforded phthalides in good yields under mild reaction conditions.

Palladium-catalyzed synthesis of isocoumarins and phthalides via tert -butyl isocyanide insertion

A novel and highly efficient strategy for the synthesis of isocoumarins and phthalides through a palladium(0)-catalyzed reaction incorporating tert-butyl isocyanide has been developed. This process, providing one of the simplest methods for the synthesis of this class of valuable lactones, involves two steps including cyclization reaction and simple acid hydrolysis. The methodology is tolerant of a wide range of substrates and applicable to library synthesis.