منابع مشابه
pKa predictions of some aniline derivatives by ab initio calculations
: In this work, different levels of theory containing HF, B3LYP, and MP2 with different basis sets such as 6-31G, 6-31G*, 6-311G, 6-311+G, 6-31+G*, 6-31+G are used to predict relative acidity constants of some aniline derivatives. Three different kinds of radii containing UAHF, Bondi, and Pauling are used to study how cavity forms change acidity constants. In all cases, DPCM model is used to si...
متن کاملGenotoxicity of aniline derivatives in various short-term tests.
Various substituted aniline derivatives were tested for genotoxicity in several short-term tests in order to examine the hypothesis that a substitution at both ortho positions (2,6-disubstitution) could prevent genotoxicity due to steric hindrance of an enzymatic activation to electrophilic intermediates. In the Salmonella/microsome assay, 2,6-dialkylsubstituted anilines and 2,4,6-trimethylanil...
متن کاملMetal-free aromatic hydrogenation: aniline to cyclohexyl-amine derivatives.
Hydrogenation of the N-bound phenyl rings of amines, imines, and aziridine is achieved in the presence of H(2) and B(C(6)F(5))(3), affording the corresponding N-cyclohexylammonium hydridoborate salts.
متن کاملpka predictions of some aniline derivatives by ab initio calculations
: in this work, different levels of theory containing hf, b3lyp, and mp2 with different basis sets such as 6-31g, 6-31g*, 6-311g, 6-311+g, 6-31+g*, 6-31+g are used to predict relative acidity constants of some aniline derivatives. three different kinds of radii containing uahf, bondi, and pauling are used to study how cavity forms change acidity constants. in all cases, dpcm model is used to si...
متن کاملDiazotization of Aniline Derivatives and Diazo Couplings in the Presence of p-Toluenesulfonic Acid by Grinding
The solid–solid reactions of electron-donor compounds, such as: barbituric acid (1a), thiobarbituric acid (1b), 1,3-dimethyl barbituric acid (1c), phenol (1d) and resorcinol (1e) with diazotized o-nitroaniline (3), m-nitroaniline (4) and p-nitroaniline (5) catalyzed by p-toluenesulfonic acid (2) afford azo dyes by grinding in good yields. This new method totally avoids the use of inorganic acid...
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ژورنال
عنوان ژورنال: The Journal of the Society of Chemical Industry, Japan
سال: 1957
ISSN: 0023-2734,2185-0860
DOI: 10.1246/nikkashi1898.60.1466