Structure and absolute configuration of some 5-chloro-2-methoxy-N-phenylbenzamide derivatives was written by Galal, Alaaeldin M. F.;Shalaby, Elsayed M.;Abouelsayed, Ahmed;Ibrahim, Medhat A.;Al-Ashkar, Emad;Hanna, Atef G.. And the article was included in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy in 2018.Safety of 5-Chloro-2-methoxybenzoic acid This article mentions the following:
The absolute configuration of 5-chloro-2-methoxy-N-phenylbenzamide single crystal [compound (1)] and the effect of introducing -[CH2]n-, n = 1,2 group adjacent to the amide group [compounds (2) and (3)], were studied. Furthermore, the replacement of the methoxy group with a hydroxy group [compound (4)] was defined. Proton and carbon-13 NMR spectrometer were used to record the structural information of the prepared compounds X-ray single crystal diffractometer were used to elucidate the 3D structural configurations. Intensity data for the studied compounds were collected at room temperature The X-ray data prove that compound (1) is almost planar, with maximum r.m.s. deviations of 0.210(3) Å corresponds to C13. This planarity starts to disturb by adding -[CH2]n-, n = 1,2 groups between the NH group and the Ph ring in compounds (2) and (3), resp. By replacing the OCH3 group by an OH group in compound (4), the plane of the chlorophenyl moiety is nearly perpendicular to that of the Ph ring. Such new structural configurations were further illustrated by the IR, and UV-visible spectroscopy measurements in the frequency range 400-4000 cm -1 and 190-1100 nm, resp. Spectroscopic analyses were verified with the help of mol. modeling using d. functional theory. The estimated total dipole moment for the prepared compounds reflects its ability to interact with its surrounding mols. The higher dipole moment for a given structures is combined with the higher reactivity for potential use in medicinal applications. In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2Safety of 5-Chloro-2-methoxybenzoic acid).
5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Safety of 5-Chloro-2-methoxybenzoic acid
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics