Bruvers, Z.; Zuika, I. published the artcile< SCF MO calculations of quinoline and its derivatives. 3. Energy of protonation and basic properties>, Computed Properties of 112-63-0, the main research area is protonation quinoline substituent effect MO; electron configuration quinoline derivative; bond energy protonated quinoline derivative.
The protonation energy (E), N charge, N-H bond energy, and pKNH+ were calculated for quinoline and its NH2, MeO, MeS, and other derivatives by the CNDO/2 method. In quinolines substituted at the 3-, 4-, 5-, 6-, and 7-positions, E and pKNH+ were determined mainly by the interaction of the substituent with the heterocyclic system. 2-Substituted quinolines exhibited steric effects, and 8-substituted quinolines showed H-bonding effects.
Khimiya Geterotsiklicheskikh Soedinenii published new progress about Basicity. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics