Halogen displacementCyclizationThree dihaloadamantanes [i.e., 2-bromo-1-(chloromethyl)adamantane (1), 1-(bromomethyl)-2-chloroadamantane (2) and 2-bromo-1-(bromomethyl)adamantane (3)] were synthesized, and their corresponding ring-closing reactions, performed by using Na metal or alkyllithium ...
You are going to carry out some displacement reactions to decide which metal is more reactive. Record your observations and fill in the answers below. Remember – In a displacement reaction, the more reactive metal displaces the less reactive metal from its compound. You are going to carry out...
The following convergence criteria were used: maximum force 4.5 · 10−4 Ha Bohr−1, RMS force 3.0 · 10−4 Ha Bohr−1, maximum atom displacement 1.8 · 10−3 Bohr, RMS atom displacement 1.2 · 10−3 Bohr. The energies of all crystal structures were corrected for ...
Full size table The calculated activation energy of the deprotonation reaction from the free energy calculation is lower by 3.4 kcal/mol than the one calculated from the potential energy scan. The free energy simulations indicate less exothermic reactions, as compared to the potential energy path...
All the nonhydrogen atoms were refined with anisotropic thermal displacement coefficients. The hydrogen atoms were included in idealized positions and refined by a riding model. The data details for XHOF- TAQ are listed in Supplementary Table 2. Fig. 6 Schematic diagram of the mechanism for ...
Halogen displacementCyclizationThree dihaloadamantanes [i.e., 2-bromo-1-(chloromethyl)adamantane (1), 1-(bromomethyl)-2-chloroadamantane (2) and 2-bromo-1-(bromomethyl)adamantane (3)] were synthesized, and their corresponding ring-closing reactions, performed by using Na metal or alkyllithium ...
Such reactions represent a valuable and versatile instrument to prepare a wide variety of functionalized pyrroles and to obtain building blocks for the synthesis of polycyclic systems.doi:10.1055/s-1997-1326Cirrincione, G.Almerico, A. M.
Cirrincione GAlmerico AMPassannanti ADiana PMingoia FSynthesis: International Journal of Methods in Synthetic Organic ChemistryCirrincione, G., Almerico, A.M., Passannanti, A., Diana, P., Mingoia, F., Nucleophilic reactions in the pyrrole series: Displacement of halogen as a tool to ...
The compounds listed in Table 1, below were prepared in a manner analogous to that described in Example 1; they are again best characterized by the chemical displacement ("δ -value" in ppm) of the newly formed CH2protons as a physio-chemical characteristic value. ##EQU10## ...
CheminformCirrincione, G., Almerico, A.M., Passannanti, A., Diana, P., Mingoia, F., Nucleophilic reactions in the pyrrole series: Displacement of halogen as a tool to functionalize the pyrrole nucleus , Synthesis, (1997) 1169–1174....