5000-63-5

Basic information

• Product Name: 3-(2,4,5-trichlorophenoxy)propane-1,2-diyl diacetate
• CAS NO: 5000-63-5
• Molecular Formula: C₈H₇NO₅
• Molecular Weight: 355.5983
• Mol File: 5000-63-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 445.7°C at 760 mmHg
• Flash Point: 171.8°C
• Density: 1.39g/cm³
• Vapor Pressure: 3.86E-08mmHg at 25°C
• Refractive Index: 1.529
• CAS DataBase Reference: 3-(2,4,5-trichlorophenoxy)propane-1,2-diyl diacetate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,4,5-trichlorophenoxy)propane-1,2-diyl diacetate(5000-63-5)
• EPA Substance Registry System: 3-(2,4,5-trichlorophenoxy)propane-1,2-diyl diacetate(5000-63-5)

Safety Data

• Hazardous Substances Data: 5000-63-5(Hazardous Substances Data)

Upstream product

• 121-89-1 3-Nitroacetophenone 

Downstream Products

• 7023-81-6 2-diazo-1-(3-nitrophenyl)ethanone 
• 1613226-36-0 2-amino-3-cyano-4-(3'-nitrobenzoyl)-4H,5H-pyrano[3,2-c]chromene-5-one 
• 1207743-72-3 3-(3-nitrobenzoyl)cyclopropane-1,1,2,2-tetracarbonitrile 

Relevant articles and documents

Gabapentin-base synthesis and theoretical studies of biologically active compounds: N-cyclohexyl-3-oxo-2-(3-oxo-2-azaspiro[4.5] decan-2-yl)-3-arylpropanamides and N-(tert-butyl)-2-(3-oxo-2-azaspiro[4.5]decan-2-yl)-2-arylacetamide derivatives

An intermolecular Ugi reaction of 2-(1-(aminomethyl)cyclohexyl)acetic acid (gabapentin) with glyoxal and cyclohexyl isocyanide or aromatic aldehyde and tertbutyl isocyanide under mild conditions in ethanol have been developed to produce two novel class of N-cyclohexyl-3-(aryl)-3-oxo-2-(3-oxo-2-azaspiro[4.5]decan-2-yl)propanamideins and N-(tert-butyl)-2-(3-oxo-2-azaspiro[4.5]decan-2-yl)-2-arylacetamide derivatives in good to excellent yields. This presents the first report for the intermolecular Ugi three component reaction of gabapentin, glyoxal, and an isocyanide. Also according to the theoretical studies the electron-donating groups increase the strength of intramolecular hydrogen bond and electron-withdrawing groups decrease the strength of intramolecular hydrogen bond.