Glycerides are fatty acid esters of glycerol; they are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils. 87-13-8, formula is C10H16O5, Name is Diethyl 2-(ethoxymethylene)malonate. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Synthetic Route of 87-13-8.
Venkatesan, Perumal;Thamotharan, Subbiah;Percino, M. Judith;Ilangovan, Andivelu research published 《 Crystal Packing Modulation of the Strength of Resonance-Assisted Hydrogen Bonds and the Role of Resonance-Assisted Pseudoring Stacking in Geminal Amido Esters: Study Based on Crystallography and Theoretical Calculations》, the research content is summarized as follows. A detailed exptl. and theor. study of substituted geminal amido esters (Et (2E)-3-(arylamino)-2-(arylcarbamoyl)prop-2-enoate, AME-1-8) leading to the identification of a unique angularly fused pseudotricyclic (S(6),S(6),S(6)) ring system stabilized by an intramol. resonance-assisted H bond (RAHB) and a non-RAHB are presented in addition to weak intermol. interactions. An anal. of x-ray and theor. models reveals that the strength of the intramol. RAHB (N1-H1N···O1) varies in a wide range (6.9-11.4 kcal mol-1) due to crystal-packing constraints arising from different aromatic ring substitutions. The effect is less significant and the strength differs only in a narrow range (8.2-9.9 kcal mol-1) in the case of non-RAHB. The downfield shift (δ ≈ 12.3) observed for the N-Haniline signal in 1H NMR spectra of AME-1-8 is due to the presence of intramol. RAHB. A PIXEL energy anal. suggests that the mol. dimer formed by stacking of RAHB pseudorings is strong (Etot = -14.4 to -17.9 kcal mol-1), and this dimer forms the basic motif in most of the reported structures. A detailed anal. of the isostructurality suggests that the basic motif exists in most of the structural combinations. The weak intermol. C-H···O, C-H···Cl, and C-H···π interactions play a vital role in the stabilization of these crystal structures, as evaluated by PIXEL and Bader′s quantum theory of atoms in mols. approach (QTAIM). A lattice energy anal. suggests that the Coulombic contribution and total lattice energies are higher in the para-substituted compounds (AME-2, AME-5, and AME-8) in comparison to the other isomeric compounds The crystal packing of these compounds is analyzed from the energy frameworks. Most of the crystals show similar 3D topols., suggesting that these compounds may have similar mech. behavior.
Synthetic Route of 87-13-8, Diethyl ethoxymethylenemalonate is a useful research compound. Its molecular formula is C10H16O5 and its molecular weight is 216.23 g/mol. The purity is usually 95%.
Diethyl ethoxymethylidenemalonate is a matrix effect reagent used in analytical chemistry. It is often used as a substrate for the cycloaddition process, which produces malondialdehyde and hydrochloric acid. The UV-absorption of the malondialdehyde can be measured to determine the concentration of the sample. Diethyl ethoxymethylidenemalonate is also used as a dna template in binding constants, where it binds with amines to form complexes that are then analyzed by light emission. It has been shown to have an inhibitory effect on gyrase and trifluoroacetic acid, both enzymes involved in DNA replication., 87-13-8.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics