5830-73-9

Basic information

• Product Name: ethyl 3-[8-(1-methylethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
• CAS NO: 5830-73-9
• Molecular Formula: C₂₁H₂₁NO₄
• Molecular Weight: 351.3957
• Mol File: 5830-73-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 571.6°C at 760 mmHg
• Flash Point: 299.5°C
• Density: 1.267g/cm³
• Vapor Pressure: 4.48E-13mmHg at 25°C
• Refractive Index: 1.604
• CAS DataBase Reference: ethyl 3-[8-(1-methylethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 3-[8-(1-methylethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate(5830-73-9)
• EPA Substance Registry System: ethyl 3-[8-(1-methylethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate(5830-73-9)

Safety Data

• Hazardous Substances Data: 5830-73-9(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 5895-65-8 2-methyl-2-(β-carboxyethyl)cyclopentene-1,3-dione 
• 765-69-5 2-Methylcyclopentane-1,3-dione 
• 138355-31-4 (1RS,2RS,5RS)-2-hydroxy-5-methylbicyclo<3.2.1>octane-6,8-dione 
• 66976-99-6 2-methyl-2-(2-formylethyl)-1,3-cyclopentanedione 
• 292638-85-8 acrylic acid methyl ester 
• 138355-30-3 (+/-)-5-methylbicyclo<3.2.1>octane-2,6,8-trione 

Downstream Products

• 5830-98-8 4at-Methyl-2,5-dioxo-(7arH)-2,3,4,4a,5,6,7,7a-octahydro-cyclopentapyran 
• 109120-94-7 (1S,6S)-6-methyl-2-oxabicyclo<4.3.0>nonane-3,7-dione 
• 5830-98-8 (4aR,7aS)-4a-Methyl-hexahydro-cyclopenta[b]pyran-2,5-dione 
• 109120-95-8 (4aR,7aR)-4a-Methyl-hexahydro-cyclopenta[b]pyran-2,5-dione 

Relevant articles and documents

Syntheses and Reactions of 2,2-Disubstituted Cyclopentane-1,3-diones, 6 - Conversion of 2-Methylcyclopentane-1,3-dione into 5-Methylcycloheptane-1,4-dione via 3-(1-Methyl-2,5-dioxocyclopentyl)propanal

In contrast to earlier reported unsuccessful experiments the Michael addition of prop-2-enal to 2-methylcyclopentane-1,3-dione (1) affords 3-(1-methyl-2,5-dioxocyclopentyl)propanal (3) in 90percent yield, if the reaction is carried out in water without a basic catalyst.This aldehyde is converted by an intramolecular aldol reaction to (+/-)-endo-2- and (+/-)-exo-2-hydroxy-5-methylbicyclooctane-6,8-dione (rac-4 and rac-6), both affording (+/-)-5-methylcycloheptane-1,4-dione (rac-8) after oxidation to (+/-)-5-methylbicyclooctane-2,6,8-trione (rac-2), hydrolyticring-opening and decarboxylation.This reaction sequence allows the transformation of the 2-alkylated cyclopentane-1,3-dione 1 into the 5-alkylated cycloheptane-1,4-dione rac-8 in a good overall yield.The pathway of the ring-opening process has been determined by an investigation of the reaction intermediates. Key Words: Cyclopentane-1,3-diones, 2,2-disubstituted / Cyclopentane-1,3-dione, 2-methyl- / Cycloheptane-1,4-dione, (+/-)-5-methyl- / Bicyclooctane-2,6,8-trione, (+/-)-5-methyl-