Besalu-Sala, Pau;Sola, Miquel;Luis, Josep M.;Torrent-Sucarrat, Miquel published 《Fast and Simple Evaluation of the Catalysis and Selectivity Induced by External Electric Fields》 in 2021. The article was appeared in 《ACS Catalysis》. They have made some progress in their research.HPLC of Formula: 14166-28-0 The article mentions the following:
In the oriented external elec.-field-driven catalysis, the reaction rates and the selectivity of chem. reactions can be tuned at will. The activation barriers of chem. reactions within external elec. fields of several strengths and directions can be computationally modeled. However, the calculation of all of the required field-dependent transition states and reactants is computationally demanding, especially for large systems. Herein, we present a method based on the Taylor expansion of the field-dependent energy of the reactants and transition states in terms of their field-free dipole moments and elec. (hyper)polarizabilities. This approach, called field-dependent energy barrier (FDBβ), allows systematic one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) representations of the activation energy barriers for any strength and direction of the external elec. field. The calculation of the field-dependent FDBβ energy barriers has a computational cost several orders of magnitude lower than the explicit elec. field optimizations, and the errors of the FDBβ barriers are within the range of only 1-2 kcal·mol-1. The achieved accuracy is sufficient for a fast-screening tool to study and predict potential elec.-field-induced catalysis, regioselectivity, and stereoselectivity. As illustrative examples, four cycloadditions (1,3-dipolar and Diels-Alder) are studied. To complete the study, the researchers used (3aR,4S,7R,7aS)-rel-Hexahydro-4,7-methanoisobenzofuran-1,3-dione (cas: 14166-28-0) .
In the laboratory, (3aR,4S,7R,7aS)-rel-Hexahydro-4,7-methanoisobenzofuran-1,3-dione(14166-28-0) is a popular solvent when its water miscibility is not an issue. It is more basic than diethyl ether and forms stronger complexes with Li+, Mg2+, and boranes.HPLC of Formula: 14166-28-0 It is a popular solvent for hydroboration reactions and for organometallic compounds such as organolithium and Grignard reagents.
Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem