Expert Insights: Spectroscopic and Computational Analysis of 2-Amino-5-chloropyridine-3-carboxylic Acid
Spectroscopic methods are indispensable tools for elucidating the structure of organic molecules. Nuclear Magnetic Resonance (NMR) spectroscopy, particularly ¹H-NMR and ¹³C-NMR, provides detailed information about the arrangement of atoms and functional groups within 2-Amino-5-chloropyridine-3-carboxylic acid. The specific chemical shifts and coupling patterns observed in the ¹H-NMR spectrum, for example, help confirm the presence and position of the amino group, chlorine atom, and carboxylic acid moiety on the pyridine ring. Infrared (IR) spectroscopy further aids in identifying characteristic functional group vibrations, such as the strong carbonyl stretch of the carboxylic acid and the N-H stretches of the amino group.
Mass Spectrometry (MS), often coupled with Liquid Chromatography (LC-MS/MS), is crucial for determining the molecular weight and purity of the compound. The characteristic isotopic pattern associated with the chlorine atom in the mass spectrum is a key identifier. These analytical techniques are vital for quality control, ensuring that the material we buy and supply meets stringent purity requirements for pharmaceutical and agrochemical applications.
Beyond experimental techniques, computational chemistry, particularly Density Functional Theory (DFT), offers powerful insights into the molecule's properties. DFT calculations can predict molecular geometries, vibrational frequencies, and electronic structures. By simulating molecular interactions, these methods help in understanding the compound's reactivity and predicting its behavior in various chemical environments. For instance, analyzing the HOMO-LUMO energy gap can provide clues about its chemical stability and potential reaction pathways. These computational analyses complement experimental data, providing a deeper understanding of the compound's chemical nature.
Our commitment as a supplier extends to employing these rigorous analytical methods to guarantee the quality and integrity of the 2-Amino-5-chloropyridine-3-carboxylic acid we provide. This ensures that our clients receive a product that is not only chemically sound but also backed by comprehensive analytical data, facilitating their research and production endeavors. For businesses seeking reliable access to high-quality chemical intermediates, partnering with us means benefiting from our expertise in both synthesis and analysis.
Perspectives & Insights
Chem Catalyst Pro
“This ensures that our clients receive a product that is not only chemically sound but also backed by comprehensive analytical data, facilitating their research and production endeavors.”
Agile Thinker 7
“For businesses seeking reliable access to high-quality chemical intermediates, partnering with us means benefiting from our expertise in both synthesis and analysis.”
Logic Spark 24
“The precise characterization of chemical compounds is fundamental to their successful application in research and industry.”