Synthesis and crystal structure of 2,4,6-tri(. cap alpha. ,. cap alpha. -dimethylbenzyl)phenol
2,4,6-Tri(..cap alpha..,..cap alpha..-dimethylbenzyl)phenol (I) is an effective antioxidant additive for polymeric materials and can be used for the production of functional derivatives of ..cap alpha..,..cap alpha..-dimethylbenzylphenols. The aim of work was to study the production of (I) in the presence of aluminum phenolate as the most selective catalyst in the synthesis of ..cap alpha..,..cap alpha..-dimethylbenzylphenols and to investigate the steric and electronic effects of ..cap alpha..-methylstyrene substituents on the molecular geometry of (I). The optimum conditions were determined for the production of 2,4,6-tri(..cap alpha..,..cap alpha..-dimethylbenzyl)phenol by the alkylation of phenol with ..cap alpha..-methylstyrene. It was established that the intramolecular distances and the distributions of the bond lengths and bond angles of the phenol ring are similar in the molecules of 2,4,6-tri-(..cap alpha..,..cap alpha..-dimethylbenzene)phenol and 2,6-di-tert-butyl-4-methylphenol. Analysis of the molecular geometry of 2,4,6-tri(..cap alpha..,..cap alpha..-dimethylbenzyl)phenol shows that the most reactive of the three exocyclic C-C bonds of the phenol ring is the bond at the para position to the hydroxyl group.
- Research Organization:
- A.V. Topchiev Institute of Petrochemical Synthesis, Moscow, USSR
- OSTI ID:
- 6418063
- Journal Information:
- Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.); (United States), Journal Name: Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.); (United States) Vol. 35:8; ISSN BACCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360602 -- Other Materials-- Structure & Phase Studies
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALKYLATED AROMATICS
ALKYLATION
ALUMINIUM COMPLEXES
ANTIOXIDANTS
AROMATICS
BINDING ENERGY
CATALYTIC EFFECTS
CHEMICAL BONDS
CHEMICAL REACTION YIELD
CHEMICAL REACTIONS
CHROMATOGRAPHY
COHERENT SCATTERING
COMPLEXES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
DISTANCE
ELECTRONS
ELEMENTARY PARTICLES
ENERGY
FERMIONS
HYDROCARBONS
HYDROXY COMPOUNDS
INTERATOMIC DISTANCES
LATTICE PARAMETERS
LEAST SQUARE FIT
LEPTONS
MAXIMUM-LIKELIHOOD FIT
MOLECULAR STRUCTURE
NUMERICAL SOLUTION
ORGANIC COMPOUNDS
PHENOLATES
PHENOLS
SCATTERING
SEPARATION PROCESSES
SPACE GROUPS
STRUCTURAL CHEMICAL ANALYSIS
STYRENE
SYNTHESIS
TRICLINIC LATTICES
VALENCE
X-RAY DIFFRACTION
YIELDS