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• 1466-76-8 2-6-dimethoxybenzoic acid 

Relevant academic research and scientific papers

NEUTRAL PHARMACEUTICALS

The invention comprises neutral multi-functionality assemblies of pharmaceuticals comprising an active medicinal functionality, a transition metal functionality, and an ancillary ligand functionality. An exemplary series of mixed-ligand coordination complexes comprised of copper(Il), a drug and an ancillary ligand were made and tested. It is demonstrated that the judicious choice of an ancillary ligand affords a large degree of control over die relative lipophilicity/hydrophiiicity of the complex in relation to the uncomplexed drug molecule. The important factors to be considered in the design of such complexes, such as the additive-constitutive nature of the partition coefficient of the ancillary ligand and the relative size of the two types of ligands are disclosed, and methods of designing neutral multi- functionality assemblies of pharmaceuticals are disclosed.

Synthesis, spectral properties, and crystal and molecular structure of tetrakis(μ-2,6-dimethoxybenzoato)diaquadicopper(II) and of bis(μ-2,6-dimethoxybenzoato)bis(μ-acetato)diaquadicopper(II), a case of a dimeric copper(II) carboxylate complex with mixed bridges

The title complexes have been prepared, investigated by single-crystal X-ray analysis, and characterized through magnetic susceptibility and spectroscopic measurements. The tetrakis(μ-2,6-dimethoxybenzoato)diaquadicopper(II) complex (1) crystallizes in the orthorhombic space group Cmca (No. 64) with cell constants a = 27.890 (7) A?, b = 7.098 (3) A?, c = 19.691 (5) A?, and Z = 4. Least-squares refinement based on 959 significant counter data led to a final conventional R factor of 0.047. The bis(μ-2,6-dimethoxybenzoato)bis(μ-acetato)diaquadicopper(II) complex (2) gives monoclinic crystals, space group P21/a (No. 14), with a = 7.898 (2) A?, b = 20.334 (6) A?, c = 8.148 (3) A?, β = 101.31 (3)°, and Z = 2. The structure refinement, on the basis of 1479 significant reflections, led to a final conventional R factor of 0.025. The dinuclear compounds have the usual carboxylate quadruply bridged structure, and in complex 2 the groups of the same type act as bridging ligands in mutually trans positions. The copper-copper distance of 2 (2.597 (1) A?) is shorter than that in 1 (2.619 (1) A?) and also shorter than that in copper(II) acetate monohydrate. This fact and the pattern of the other bonding parameters indicate that the molecular framework is rather flexible and can undergo small rearrangements in response to the bonding requirements of the carboxylato ligands or to packing factors. The spectroscopic and magnetic properties of the complexes are interpreted on the basis of the crystal structures. In particular, the complexes exhibit significantly different exchange integrals, -2J (325 and 250 cm-1 for 1 and 2, respectively). The structural and magnetic results are compared with those for a series of related dimers.