42760-46-3

Basic information

• Product Name: 7-Nitro-1(3H)-isobenzofuranone
• Synonyms: 7-Nitro-1(3H)-isobenzofuranone;7-nitroisobenzofuran-1(3H)-one;7-nitroisobenzofuran-1(3H)-one（WS203630）
• CAS NO: 42760-46-3
• Molecular Formula: C₈H₅NO₄
• Molecular Weight: 179
• Mol File: 42760-46-3.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 417.8±45.0 °C(Predicted)
• Appearance: /
• Density: 1.519±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 7-Nitro-1(3H)-isobenzofuranone(CAS DataBase Reference)
• NIST Chemistry Reference: 7-Nitro-1(3H)-isobenzofuranone(42760-46-3)
• EPA Substance Registry System: 7-Nitro-1(3H)-isobenzofuranone(42760-46-3)

Safety Data

• Hazardous Substances Data: 42760-46-3(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 52, p. 129, 1987 DOI: 10.1021/jo00377a023

Upstream product

• 6744-85-0 2-(methoxycarbonyl)-3-nitrobenzoic acid 
• 13506-76-8 2-methyl-6-nitrobenzoic acid 
• 641-70-3 3-nitrophthalic acid anhydride 

Downstream Products

• 3883-64-5 7-aminophthalide 

Relevant articles and documents

Copper-catalyzed oxidative esterification of unactivated C(sp3)-H bonds with carboxylic acids via cross dehydrogenative coupling

An effective copper-catalyzed esterification of unactivated (non-benzylic and allylic) C(sp3)-H bonds of hydrocarbons with Selectfluor as an oxidant has been developed. This reaction could provide a direct, new and useful strategy for the synthesis of esters and alkyl alcohols by ester hydrolysis.

Synthesis of New N,N,1,1-Tetramethyl-isobenzofuranamines

The nitrophthalides 3a-d aimed as intermediates in the synthesis of the title compounds 6a-d were obtained via regioselective reduction of 3-nitrophthalic anhydride 1 or by nitration of phthalide and 3,3-dimethylphthalide, respectively.Reductive methylation of the nitro groups afforded the dimethylaminophthalides 5a-d which in turn were reacted with MeMgI or in the case of 5d reduced by LiAlH4 leading finally to the title compounds.

On the regioselectivity of metal hydride reductions of 3-substituted phthalic anhydrides

A problem of 3-methoxyphthalide reduction by metal hydrides was reinvestigated. Various effects controlling selectivity of reductions in 3-substituted phthalides were studied, and a qualitative interpretation of the results is now proposed. Methods for obtaining enhanced yields of one or the other lactonic product were developed.