HPLC of Formula: 129-18-0. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Sodium 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide, is researched, Molecular C19H19N2NaO2, CAS is 129-18-0, about Structure of phenylbutazone and mofebutazone in the crystalline state and in solution. Author is Paradies, Henrich H..
The crystal structure of the keto form of phenylbutazone (I) was determined and compared with the mol. conformation of mofebutazone (II). The pronounced differences between these two structures are the conformation of the Bu side chain [which is extended and in trans conformation for II, however, bent at the Cγ-position with H bonding of the γ-H to the carbonyl C(3)-O(1) for I], and the in-plane conformation of the Ph group with respect to the heterocyclic ring system in II compared with two benzene rings at N(1) and N(2) which are almost perpendicular to the pyrazolidine-(3,5)-dione ring. Preliminary x-ray data reveal that the structures of the alkali enolates of both compounds are difficult to solve because the crystal quality is insufficient and highly disordered. However, the large unit cells are consistent with chelated structures of the alkali enolates with solvent. Na and K enolates of I in nonpolar solvents (e.g., benzene and cyclohexane) exist as inverse micelles comprised of 30-40 monomer units. In contrast, the salt appears to be essentially monomeric in 1,2-dimethoxyethane, and, in water for I, the critical micelle concentration (CMC) is >0.30M. II salts, however, reveal a CMC of 1.5 × 10-3M in water, where the basic unit of micellar aggregation seems to be the dimer. The micellar properties of I and II enolates are strongly dependent on the nature of solvents, solvation of the enolate, and size of the cation. However, Na and K enolates of II in nonpolar solvents exist as small inverse micelles comprised of 8-10 monomer units only. In aqueous solution, weight average mol. weights of 13,100 were determined, with a radius of gyration of 12.85 Å.
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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem