• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.337-345
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• 2002

The equilibrium structures for the ground and transition states of $C_7H_7^+$ isomers have been investigated using sophisticated ab initio quantum mechanical techniques with various basis sets. The structures of tropyrium and benzyl cations have been fully optimized at the DZP CCSD(T) levels of theory. And the structures of o-, m-and p-tolyl cations are optimized fully up to the DZ CCSD(T) levels of theory. The geometries for the transition states between three isomers of tolyl cations have been optimized up to DZP CISD level of theory. The SCF harmonic vibrational frequencies for tropylium, benzyl, and three isomers of tolyl cations are all real numbers, which confirm the potential minima and each unique imaginary vibrational frequencies for TS1 and TS2 confirm the true transition states. The relative energy of the benzyl cation with respect to the tropyrium cation is predicted to be 28.5 kJ/mol and is in good agreement with the previous theoretical predictions. The 0 K heats of formation, ${\Delta}H^{\circ}_{f0}$, have been predicted to be 890, 1095, 1101, and 1110 kJ/mol for tropylium, ortho-, meta-, and para-tolyl cations by taking the experimental value of 919 kJ/mol for the benzyl cation as the base level. The relative stability between tolyl cations is in the order of ortho

• Journal of the Korean Chemical Society
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• v.8 no.4
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• pp.153-157
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• 1964

The syntheses of substituted tert.-butyl ${\beta}$-(o-tolyl)- perpropionates via intermediates obtained by chloromethylation, malonic syntheses and decarboxylation is described. The intermediates substituted with a group possessing moderate substituent effect such as bromo, chloro, and methyl group were obtained in good yields. The nitro-substituted intermediat was obtained in poor yield. The chloromethylation of toluenes containing electron donating groups resulted in polymerization.

• Bulletin of the Korean Chemical Society
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• v.27 no.2
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• pp.299-301
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• 2006

• Journal of the Korean Chemical Society
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• v.54 no.1
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• pp.59-64
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• 2010

The synthesis of a series of fluorinated thiadiazoles 3, triazoles 4 and oxadiazoles 5 are synthesized from thiosemicarbazides 2 containing (2-(6-methyl-2-p-tolyl-lH-imidazo[1,2-a]pyridin-3-yl nucleus. These reactions were carried out by conventional method as well as ultra sound irradiation method. All products have been characterized by IR, 1H NMR, MS study and screened for their antimicrobial activity.

• Proceedings of the Korean Society of Potoscience Conference
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• spring
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• pp.43-43
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• 1996

• Bulletin of the Korean Chemical Society
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• v.18 no.4
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• pp.439-441
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• 1997

• Bulletin of the Korean Chemical Society
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• v.16 no.6
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• pp.470-472
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• 1995

• Bulletin of the Korean Chemical Society
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• v.26 no.5
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• pp.719-728
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• 2005

A novel 2-amino-4-(8-quinolinol-5-yl)-1- (p-tolyl)-pyrrole-3-cabonitrile (2) was obtained by the reaction of 2-[2-bromo-1-(8-hydroxyquinolin-5-yl)-ethylidene]-malononitrile (1) with p-toluidene. The new synthon compound (2) could be annelated to the corresponding pyrrolo[2,3-d]pyrimidines (4, 6, 7, 26-28), triazolo[1,5-c]pyrrolo[3,2-e]pyrimidines (10, 29, 30), pyrrolo[2,3-c]pyrazoles (11-15), pyrrolo[1,2-a]pyrrolo[3,2-e] pyrimidine (17) and imidazo[1,2-c]pyrrolo[3,2-e]pyrimidines (18-25) via the reaction with some reagents such as acetic anhydride, formamide, triethyl orthoformate, hydrazine hydrate, hydroxylamine, ethylenediamine, carbon disulfide and phosphorus oxychloride. Chemical and spectroscopic evidences for the structures of these compounds are presented. The antifungal and antibacterial activity of the newly synthesized comounds were evaluated.

• Bulletin of the Korean Chemical Society
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• v.26 no.9
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• pp.1335-1338
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• 2005

Thianthrene cation radical perchlorate ($Th^{+{{\cdot}}}{ClO_4}^-$) reacted readily with two isomeric thiols, benzylthiol (1) and 4-methylbenzenethiol (7) in an acetonitrile solution at room temperature. From the reaction of 1, the major products, N-benzylacetamide (4) and benzyl sulfide (5), are characteristic of benzyl carbocations while the minor one, benzyl disulfide (6) implies free radical component of the reaction. It is unprecedented that the formation of a benzyl carbocation was caused by the extrusion of sulfur atoms from benzyl sulfur cations (3). In contrast, from the reaction of 7, only p-tolyl disulfide (10) was obtained from both sulfur radicals and cations. In the reaction of 7 the thio-extrusion was not observed from the p-tolyl sulfur cation (9). A thianthrene cation radical ($Th^{+{{\cdot}}}$) was reduced quantitatively to thianthrene (Th) in both reactions.

• Journal of Photoscience
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• v.9 no.1
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• pp.13-15
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• 2002

The structurally rigid $\alpha$-(o-alkylphenyl) acetophenone derivatives lacking $\beta$-hydrogens, 3,3-dimethyl-2-o-tolylibdan-1-one and 2-o-tolyl-benzofuran-3-one, were prepared and their photochemical behaviors were examined. The former did not give any photoproduct while the latter turned into its enol tautomer. The difference of reactivity of two ketones was attributed to aromatic character of the extol of the benzofuranone. It was concluded that the reaction occurred via photoinduced 1,3-H transfer.