104941-40-4Relevant academic research and scientific papers
Evaluation of the role of isostructurality in fluorinated phenyl benzoates
Dey, Dhananjay,Chopra, Deepak
, p. 5117 - 5128 (2018/03/01)
In this report, the occurrence of three-, two-, and one-dimensional (3D, 2D, and 1D) isostructurality in phenyl benzoate (D00) and their fluorinated analogues was investigated in terms of their molecular assembly in solid state structures. A onedimensional C-H?O=C chain is observed as a robust motif (～ -21 kJ/mol) in the formation of the supramolecular architectures in these isostructural compounds. The isomorphous crystal structures exhibit 3D isostructurality or vice versa. The crystal packing shows that weak intermolecular C-H ? F, C-H ? O, C- H ? π interactions, and π ? π stacking are the main contributors providing stability toward the crystal lattice. The nature and energetics of all the geometrically or energetically equivalent building blocks associated with similar or different intermolecular interactions delineate the role of different molecular pairs in the crystal structures. The fingerprint plots of the isostructural set of crystal structures help to understand the similarities and the differences in the various interatomic contacts. A comparison of these crystal structures with fluorinated N-phenyl benzamides shows the change in supramolecular assembly in terms of intermolecular interactions as well as the lattice energy due to the participation of a strong donor (N-H).
Synthesis and evaluation of N-substituted nipecotic acid derivatives with an unsymmetrical bis-aromatic residue attached to a vinyl ether spacer as potential GABA uptake inhibitors
Quandt, Gabriele,H?fner, Georg,Wanner, Klaus T.
supporting information, p. 3363 - 3378 (2013/07/28)
γ-Amino butyric acid (GABA) is the major inhibitory neurotransmitter in the mammalian central nervous system (CNS). A malfunction of the GABAergic neurotransmission is connected to several neuronal disorders like epilepsy, Alzheimer's disease, neuropathic
Fluorine-substituted phenyl benzoates and process for producing same
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, (2008/06/13)
A fluorine-substituted phenyl benzoate of the general formula wherein one of either Ar or Ar' is p- or o-fluorophenyl group, while the other is m-fluorophenyl group. This fluorine-substituted phenyl benzoate can be prepared by subjecting to an oxidative decarboxylation reaction a fluorobenzoic acid of the general formula wherein Ar" is a fluorophenyl group. This phenyl benzoate is valuable as in intermediate for producing the fluorophenols.
