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Proton nuclear magnetic resonance (proton NMR, hydrogen-1 NMR, or 1 H NMR) is the application of nuclear magnetic resonance in NMR spectroscopy with respect to hydrogen-1 nuclei within the molecules of a substance, in order to determine the structure of its molecules. [1]
Mesitylene or 1,3,5-trimethylbenzene is a derivative of benzene with three methyl substituents positioned symmetrically around the ring. The other two isomeric trimethylbenzenes are 1,2,4-trimethylbenzene (pseudocumene) and 1,2,3-trimethylbenzene (hemimellitene).
Phenyl groups are found in many organic compounds, both natural and synthetic (see figure). Most common among natural products is the amino acid phenylalanine, which contains a phenyl group. A major product of the petrochemical industry is "BTX" consisting of benzene, toluene, and xylene - all of which are building blocks for phenyl compounds.
The term alcohol originally referred to the primary alcohol ethanol (ethyl alcohol), which is used as a drug and is the main alcohol present in alcoholic drinks. The suffix -ol appears in the International Union of Pure and Applied Chemistry (IUPAC) chemical name of all substances where the hydroxyl group is the functional group with the ...
Three of these alcohols, 2-methyl-1-butanol, 2-pentanol, and 3-methyl-2-butanol (methyl isopropyl carbinol), contain stereocenters, and are therefore chiral and optically active. The most important amyl alcohol is isoamyl alcohol , the chief one generated by fermentation in the production of alcoholic beverages and a constituent of fusel oil .
In meta-substitution, the substituents occupy positions 1 and 3 (corresponding to R and meta in the diagram). In para-substitution, the substituents occupy the opposite ends (positions 1 and 4, corresponding to R and para in the diagram). The toluidines serve as an example for these three types of substitution.
Phenethyl alcohol is prepared commercially via two routes. Most common is the Friedel-Crafts reaction between benzene and ethylene oxide in the presence of aluminium trichloride. C 6 H 6 + CH 2 CH 2 O + AlCl 3 → C 6 H 5 CH 2 CH 2 OAlCl 2 + HCl. The reaction affords the aluminium alkoxide that is subsequently hydrolyzed to the desired product.
In 1 H-NMR spectroscopy, the coupling of two hydrogen atoms on adjacent carbon atoms is called vicinal coupling. The coupling constant 3 J represents coupling of vicinal hydrogen atoms because they couple through three bonds. Depending on the other substituents, the vicinal coupling constant is typically a value between 0 and +20 Hz. [2]