Aromatic derivatives of 2H-pyrimidino(5,6-b)-1,4-thiazine
Journal Article
·
· Chem. Heterocycl. Compd. (Engl. Transl.); (United States)
5-R/sup 1/-3-(4-R-Phenyl)-2H-pyrimidino(5,6-b)-1,4-thiazines (R/sup 1/ = N(CH/sub 3/)/sub 2/) or OCH/sub 3/), which exist primarily in the 2H form, were synthesized by the reaction of omega-bromoacetophenones with 4-R/sup 1/-5-amino-6-thiopyrimidines. The electronic absorption spectra of ethanol solutions were recorded with a Specord UV-vis spectrophotometer. The electronic characteristics of the excited states of the Va molecule were calculated by the MO LCAO SCF CI method in the Pariser-Parr-Pople (PPP) variant with standard set of parameters; an estimate of the contribution of the fragments to the general molecular excitation was given for each electron transition with the use of quantitative locality criteria. The PMR spectra of solutions in CDCl/sub 3/ and (CD/sub 3/)/sub 2/SO were recorded.
- Research Organization:
- A. M. Gor'kii Kharkov State Univ. (USSR)
- OSTI ID:
- 5022871
- Journal Information:
- Chem. Heterocycl. Compd. (Engl. Transl.); (United States), Journal Name: Chem. Heterocycl. Compd. (Engl. Transl.); (United States) Vol. 23:2; ISSN CHCCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ACETOPHENONE
ACTIVATION ENERGY
AROMATIZATION
ATOMIC MODELS
AZINES
CHEMICAL REACTIONS
CHEMICAL SHIFT
CHLORINATED ALIPHATIC HYDROCARBONS
CHLOROFORM
DEUTERIUM COMPOUNDS
ELECTRONIC STRUCTURE
ENERGY
ENERGY LEVELS
EXCITED STATES
HALOGENATED ALIPHATIC HYDROCARBONS
HETEROCYCLIC COMPOUNDS
HYDROGEN COMPOUNDS
KETONES
LCAO METHOD
MATHEMATICAL MODELS
MECHANICS
MOLECULAR ORBITAL METHOD
NMR SPECTRA
ORGANIC BROMINE COMPOUNDS
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PYRIMIDINES
QUANTUM MECHANICS
SELF-CONSISTENT FIELD
SPECTRA
STRUCTURAL CHEMICAL ANALYSIS
SYNTHESIS
ULTRAVIOLET SPECTRA
400201* -- Chemical & Physicochemical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ACETOPHENONE
ACTIVATION ENERGY
AROMATIZATION
ATOMIC MODELS
AZINES
CHEMICAL REACTIONS
CHEMICAL SHIFT
CHLORINATED ALIPHATIC HYDROCARBONS
CHLOROFORM
DEUTERIUM COMPOUNDS
ELECTRONIC STRUCTURE
ENERGY
ENERGY LEVELS
EXCITED STATES
HALOGENATED ALIPHATIC HYDROCARBONS
HETEROCYCLIC COMPOUNDS
HYDROGEN COMPOUNDS
KETONES
LCAO METHOD
MATHEMATICAL MODELS
MECHANICS
MOLECULAR ORBITAL METHOD
NMR SPECTRA
ORGANIC BROMINE COMPOUNDS
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PYRIMIDINES
QUANTUM MECHANICS
SELF-CONSISTENT FIELD
SPECTRA
STRUCTURAL CHEMICAL ANALYSIS
SYNTHESIS
ULTRAVIOLET SPECTRA