HPLC of Formula: 6149-41-3In 2004 ,《Theoretical study of the thermolysis reaction of methyl β-hydroxycarboxylates in the gas phase》 was published in Journal of Physical Organic Chemistry. The article was written by Sanchez, Claudia; Quijano, Jairo; Notario, Rafael. The article contains the following contents:
Theor. studies on the thermolysis in the gas phase of three Me β-hydroxycarboxylates RR’C(OH)CH2COOCH3, Me 3-hydroxypropanoate (primary alc., I), Me 3-hydroxybutanoate (secondary alc., II) and Me 3-hydroxy-3-methylbutanoate (tertiary alc., III), were carried out using ab initio theor. methods at the MP2/6-31G(d) and MP2/6-311+G(d,p) levels of theory. The pathways describe a mechanism via a six-membered cyclic transition state, with the formation of an aldehyde or a ketone and an enol intermediate, followed by the tautomerization of this intermediate to Me acetate. The progress of the reactions was followed by means of the Wiberg bond indexes. The results indicate that the transition states are late, and the proton transfer is the more advanced process. The kinetic parameters calculated for the reactions studied agree well with the available exptl. results. A theor. study on the kinetic deuterium isotope primary and α- and β-secondary effects was also carried out. In the experiment, the researchers used many compounds, for example, Methyl 3-hydroxypropanoate(cas: 6149-41-3HPLC of Formula: 6149-41-3)
Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. HPLC of Formula: 6149-41-3
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