The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: (R)-5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride( cas:323196-43-6 ) is researched.Product Details of 323196-43-6.Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M. published the article 《Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study》 about this compound( cas:323196-43-6 ) in Acta Crystallographica, Section C: Crystal Structure Communications. Keywords: structural diversity imidazolidinone organocatalyst; crystal structure methylaminocarbonyl phenylpropanaminium benzyltrimethyloxoimidazolidinium chloride; mol structure methylaminocarbonyl phenylpropanaminium benzyltrimethyloxoimidazolidinium chloride. Let’s learn more about this compound (cas:323196-43-6).
(S)-1-(Methylaminocarbonyl)-3-phenylpropanaminium chloride (S2·HCl), C10H15N2O+·Cl-, crystallizes in the orthorhombic space group P212121 with a single formula unit per asym. unit. (5R/S)-5-Benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride (R3 and S3), C13H19N2O+·Cl-, crystallize in the same space group as S2·HCl but contain three symmetry-independent formula units. (R/S)-5-Benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride monohydrate (R4 and S4), C13H19N2O+·Cl-·H2O, crystallize in the space group P21 with a single formula unit per asym. unit. Calculations at the B3LYP/6-31G(d,p) and B3LYP/6-311G(d,p) levels of the conformational energies of the cation in R3, S3, R4, and S4 indicate that the ideal gas-phase global energy min. conformation is not observed in the solid state. Rather, the effects of hydrogen-bonding and van der Waals interactions in the crystal structure cause the mols. to adopt higher-energy conformations, which correspond to local min. in the mol. potential energy surface.
Although many compounds look similar to this compound(323196-43-6)Product Details of 323196-43-6, numerous studies have shown that this compound(SMILES:O=C1N(C)C(C)(C)N[C@@H]1CC2=CC=CC=C2.[H]Cl), has unique advantages. If you want to know more about similar compounds, you can read my other articles.
Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics