911225-21-3

Basic information

• Product Name: 1,4,5,6,7,7-hexafluoro-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester
• Synonyms: 1,4,5,6,7,7-hexafluoro-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester
• CAS NO: 911225-21-3
• Molecular Weight: 320.148
• Mol File: 911225-21-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,4,5,6,7,7-hexafluoro-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,5,6,7,7-hexafluoro-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester(911225-21-3)
• EPA Substance Registry System: 1,4,5,6,7,7-hexafluoro-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester(911225-21-3)

Safety Data

• Hazardous Substances Data: 911225-21-3(Hazardous Substances Data)

Upstream product

• 866731-50-2 dimethyl azodicarboxylate 
• 699-39-8 perfluoro-1,3-cyclopentadiene 

Downstream Products

• 559-40-0 octaperfluorocyclopentene 

Relevant articles and documents

Extremely facile ring inversion and rearrangement in fluorobicyclo[2.1.0]pentanes

cis-1,2,3,4,5,5-Hexafluorobicyclo[2.1.0]pentane and 1,2,4,5-tetrafluorobicyclo[2.1.0]pentane have been synthesized from hexafluorobenzene. The former hydrofluorocarbon, which exists entirely in the endo configuration, rearranges to cis-1,2,3,3,4,5-hexafluorocyclopentene below room temperature (Ea = 21.9 kcal/mol, log A = 13.4). The latter undergoes degenerate ring inversion with extraordinary ease (ΔG? = 6.8 ± 0.2 kcal/mol at -55 °C). Density functional calculations indicate that significant bonding between the bridgehead carbons is retained in the ring inversion transition state. Analogous calculations predict for hexafluorobicyclo[1.1.0]butane a considerably lower barrier for ring inversion and more 1,3-bonding in the transition state.