121994-33-0

Basic information

• Product Name: (4R,10bR)-2-Phenyl-4,5,10,10b-tetrahydro-3-oxa-1,3a,10-triaza-cyclopenta[a]fluorene-4-carboxylic acid ethyl ester
• Synonyms: (4R,10bR)-2-Phenyl-4,5,10,10b-tetrahydro-3-oxa-1,3a,10-triaza-cyclopenta[a]fluorene-4-carboxylic acid ethyl ester
• CAS NO: 121994-33-0
• Molecular Weight: 361.4
• Mol File: 121994-33-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (4R,10bR)-2-Phenyl-4,5,10,10b-tetrahydro-3-oxa-1,3a,10-triaza-cyclopenta[a]fluorene-4-carboxylic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (4R,10bR)-2-Phenyl-4,5,10,10b-tetrahydro-3-oxa-1,3a,10-triaza-cyclopenta[a]fluorene-4-carboxylic acid ethyl ester(121994-33-0)
• EPA Substance Registry System: (4R,10bR)-2-Phenyl-4,5,10,10b-tetrahydro-3-oxa-1,3a,10-triaza-cyclopenta[a]fluorene-4-carboxylic acid ethyl ester(121994-33-0)

Safety Data

• Hazardous Substances Data: 121994-33-0(Hazardous Substances Data)

Upstream product

• 100-47-0 benzonitrile 
• 106544-20-1 2-oxo-3-(ethoxycarbonyl)-3,4-dihydro-β-carboline 

Downstream Products

• 55-21-0 benzamide 
• 74214-62-3 ethyl 9H-pyrido[3,4-b]indole-3-carboxylate 

Relevant articles and documents

1,3-Dipolar Cycloaddition of Nitrones with Nitriles. Scope and Mechanistic Study

1,3-Dipolar cycloadditions of nitrones 1-6 with nitriles 14-16, proceeded under thermal as well as under high pressure conditions with complete regioselectivity to give Δ4-1,2,4-oxadiazolines 17-19.In general, the cycloaddition seemed to be controlled by a HOMO(nitrone)- LUMO(nitrile) interaction.However, a crossover in the orbital control is probable observed with nitrile 16c.Nitrone-nitrile cycloadditions are normal type II cycloadditions so that the nitriles have a U-shaped reactivity curve.Kinetic study on solvent polarity and Hammett equation demonstrated that mechanistically the nitrone-nitrile cycloaddition is consistent with nitrone-alkene cycloaddition.