CAS 115913-32-1: dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester is a fluorinated analog of the diacid 1,2-cyclohexanedicarboxylic acid. It has been studied by computational and experimental methods to elucidate its properties. 1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester has been shown to undergo bond cleavage at the C-C and C-F bonds with a half life of approximately one day under simulated physiological conditions. The single crystal X-ray diffraction study showed that 1,2-bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester has a planarity of 0.539(6) Å for the central carbon atom.