4122-57-0

Basic information

• Product Name: 3-Methoxy-1(3H)-isobenzofuranone
• Synonyms: 3-Methoxy-1(3H)-isobenzofuranone;3-Methoxyphthalide;3-Methoxyisobenzofuran-1(3H)-one
• CAS NO: 4122-57-0
• Molecular Formula: C₉H₈O₃
• Molecular Weight: 164.158
• Mol File: 4122-57-0.mol
• Article Data: 9

Chemical Properties

• Melting Point: 45 °C
• Boiling Point: 146 °C / 12mmHg
• Flash Point: 119.5°C
• Appearance: /
• Density: 1.25g/cm³
• Vapor Pressure: 0.00157mmHg at 25°C
• Refractive Index: 1.559
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 3-Methoxy-1(3H)-isobenzofuranone(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methoxy-1(3H)-isobenzofuranone(4122-57-0)
• EPA Substance Registry System: 3-Methoxy-1(3H)-isobenzofuranone(4122-57-0)

Safety Data

• Hazardous Substances Data: 4122-57-0(Hazardous Substances Data)

Usage

Uses

3-Methoxyisobenzofuran-1(3H)-one acts as a reagent for the synthesis of vitamin K and related naphthoquinones via demethoxycarbonylative cyclization and cascade Cope-retro-Wittig rearrangement.

InChI:InChI=1/C9H8O3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5,9H,1H3

Upstream product

• 4122-56-9 methyl o-formylbenzoate 
• 557-20-0 diethylzinc 
• 91-20-3 naphthalene 
• 67-56-1 methanol 
• 119-67-5 o-carboxybenzaldehyde 
• 6383-11-5 benzocyclobutene-1,2-dione 
• 99275-28-2 N,N-bis<1''(3''H)-isobenzofuranon-3''-yl>-2-(3',4'-dimethoxyphenyl)ethylamine 
• 99275-29-3 N,N-bis<1''(3''H)-isobenzofuranon-3''-yl>-2-(4'-hydroxyphenyl)ethylamine 
• 99275-30-6 N,N-bis<1'(3'H)-isobenzofuranon-3'-yl>-4-aminobutyric acid 
• 106515-78-0 2-methyl-1-indanone hydrazone 
• 6295-21-2 3-chloro-1(3H)-isobenzofuranone 

Downstream Products

• 4122-56-9 methyl o-formylbenzoate 
• 356060-89-4 1,3-bis-(2-methoxy-phenyl)-isobenzofuran 
• 6306-97-4 1,3-bis(4-methoxyphenyl)isobenzofuran 
• 252873-65-7 C₂₂H₁₈O 
• 62422-95-1 1,3-di-p-tolylbenzo[c]furan 
• 5471-63-6 1,3-diphenylisobenzofuran 
• 58-27-5 menadione 
• 612-14-6 phthalyl alcohol 
• 643-79-8 o-phthalic dicarboxaldehyde 
• 1213236-93-1 1,3-di(4-(4,4-dimethyloxazolidin-2-yl)phenyl)isobenzofuran 
• 16859-59-9 3-hydroxy-1(3H)-isobenzofuranone 
• 67-56-1 methanol 
• 58502-59-3 2-formylbenzoic acid anion 

Relevant articles and documents

Bismuth(III) triflate: A safe and easily handled precursor for triflic acid: Application to the esterification reaction

A series of carboxylic acids were converted into their corresponding methyl esters using bismuth(III) triflate as a catalyst in methanol. Good to excellent yields were obtained for different aliphatic or aromatic starting materials. In the reaction, bismuth triflate acts as a precursor that, upon hydrolysis, liberates sufficient triflic acid to catalyze the esterification.

Synthons for biologically active compounds on the basis of naphthalene ozonolysis products

Ozonolysis of naphthalene in aqueous methanol, followed by the reduction of peroxy compounds thus formed with potassium iodide in the presence of acetic acid, gave 3-methoxy-2-benzofuran-1(3H)-one. In the absence of water, the product was methyl o-formylbenzoate. The latter was used as a synthon for the preparation of aromatic analogs of (2E)-2,6-dimethyloct-2-ene-1,8-diol ethers which are effective juvenoids. Pleiades Publishing, Inc., 2006.

Characterization of the Bisketene Photoisomer of Benzocyclobutenedione

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