Ester is a chemical compound derived from an oxoacid (organic or inorganic) in which at least one –OH hydroxyl group is replaced by an –O– alkyl (alkoxy) group, 87-13-8, formula is C10H16O5, Name is Diethyl 2-(ethoxymethylene)malonate. as in the substitution reaction of a carboxylic acid and an alcohol. Application of C10H16O5.
Venkatesan, Perumal;Thamotharan, Subbiah;Percino, M. Judith;Ilangovan, Andivelu research published 《 Intramolecular resonance assisted N-H···O=C hydrogen bond and weak noncovalent interactions in two asymmetrically substituted geminal amido-esters: Crystal structures and quantum chemical exploration》, the research content is summarized as follows. Two asym. substituted geminal amido-esters, namely Et (2E)-2-[(2,5-dimethoxy phenyl)carbamoyl]-3-[(4-nitrophenyl)amino] prop-2-enoate (I) and Et (2E)-2-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]-3-(phenylamino) prop-2-enoate (II) were synthesized and the nature and strength of intramol. resonance assisted hydrogen bond (RAHB) and non-RAHB was studied. X-ray anal. revealed that intramol. N-H···O, and C-H···O interactions lead to the formation of angularly fused pseudo tricyclic (A-C) motif in compound I and fused pseudo pentacyclic (A-E) motif in compound II. Intramol. RAHB; non-RAHB interactions are characterized and quantified by Bader’s quantum theory of atoms-in-mols. approach (QTAIM). In both compounds, ring A was found to exhibit intramol. RAHB characteristics. Crystal structures of I and II are stabilized by weak intermol. C-H···O, C-H···π, and π···π interactions. Intermol. interaction energies for different mol. dimers in I and II have been quantified by using the PIXEL, QTAIM, and DFT methods. The pseudoring stacking interaction is observed only in compound II whereas no such stacking interactions are seen in compound I. Hirshfeld surface (HS) anal. suggested that the H···H and O···H contacts are the first and second dominant contacts in both crystal structures. The theor. charge d. anal. revealed that the C-H···O and C-H···C(π) interactions produce closed-shell characteristics. Further, the crystal packing of compounds I and II analyzed based on the energy frameworks.
Application of C10H16O5, 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