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, 611-13-2, formula is C6H6O3, Name is Methyl furan-2-carboxylate. as in the substitution reaction of a carboxylic acid and an alcohol. Computed Properties of 611-13-2.
Manuel Ledo, J.;Flores, Henoc;Ramos, Fernando;Freitas, Vera L. S.;Ribeiro da Silva, Maria D. M. C. research published 《 MatThermochemical study to assess the energetical and structural effects of nitro substituents in methyl benzoate isomers》, the research content is summarized as follows. Combined exptl. and computational studies were performed aiming the anal. of energetic properties vs structural characteristics of three Me nitrobenzoate isomers (Me 2-nitrobenzoate, M2NB, Me 3-nitrobenzoate, M3NB, Me 4-nitrobenzoate, M4NB). The exptl. studies include the determination of the enthalpy of formation in the condensed state (crystal and liquid) of the compounds by static combustion, and the determination of enthalpies of phase transition, using Differential Scanning Calorimetry, high temperature Calvet microcalorimetry and the Knudsen effusion method. These data were combined to derive the enthalpy of formation of the Me nitrobenzoate isomers in the gaseous phase, at T = 298.15 K. At the computational level, the gas-phase enthalpy of formation of the Me nitrobenzoate isomers were estimated using theor. approaches, resorting to the G3(MP2)//B3LYP composite method and to appropriate hypothetical gas-phase reactions. The enthalpies of formation obtained exptl. and computationally will be discussed and the energetic-structural synergies for the three Me nitrobenzoate, along with other analogous isomers, will be also analyzed.
611-13-2, Methyl 2-furoate has been identified as one of the volatile flavor compounds in tequila, okra, berrycactus and black currant juice.
Methyl 2-furoate, also known as fema 2703 or methyl pyromucate, belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. Methyl 2-furoate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Within the cell, methyl 2-furoate is primarily located in the cytoplasm. Methyl 2-furoate is a sweet, fruity, and fungal tasting compound that can be found in a number of food items such as cocoa and cocoa products, potato, tamarind, and fruits. This makes methyl 2-furoate a potential biomarker for the consumption of these food products.
Methyl 2-furoate is a reactive compound that belongs to the family of sesquiterpene lactones. It has been shown to have phosphotungstic acid and hydrochloric acid reactivity, as well as nitrous and water vapor sensitivity. Methyl 2-furoate also reacts with radiation, which can be used for structural analysis. The compound is an intermediate in the synthesis of pluronic p123, which is used in fabricating biomedical devices. Methyl 2-furoate has been shown to have anti-inflammatory properties through its inhibitory effect on prostaglandin synthesis., Computed Properties of 611-13-2
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics