• Bulletin of the Korean Chemical Society
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• 제28권11호
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• pp.2015-2019
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• 2007

The article reports the synthesis of a novel bispyridino-18-crown-6 ether, 7-{[(5S,15S)-5,15-diphenyl- 3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaen-10-yl]oxy}heptylferrocenamide 6, bearing the C2-symmetric diphenyl substituents as chiral barriers and the ferrocenyl groups serving as an electrochemical sensor, and its electrochemical study with D- and L-AlaOMe·HCl as the guest by cyclovoltametry.

• Bulletin of the Korean Chemical Society
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• 제28권11호
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• pp.2020-2024
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• 2007

The article reports the synthesis of a novel bispyridino-18-crown-6 ether, 7-{[(5S,15S)-5,15-diphenyl- 3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaen-10-yl]oxy}heptylferrocenamide 6, bearing the C2-symmetric diphenyl substituents as chiral barriers and the ferrocenyl groups serving as an electrochemical sensor, and its electrochemical study with D- and L-AlaOMe·HCl as the guest by cyclovoltametry.

• 대한화학회지
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• 제18권1호
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• pp.8-11
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• 1974

물함량 50% 이하의 아세토니트릴-물 혼합용매내에서의 염화벤젠술포닐의 $p-H, p-NO_2, p-Br, p-OCH_3$, 치환체들의 가용매분해를 반응속도론적으로 연구한 결과 Hammett 도시는 concave한 곡선들이나 $S-N2$성격이 압도적이었으며 물은 친핵제 뿐만 아니라 general base로도 작용하고 있음을 알았다.

• 대한화학회지
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• 제37권6호
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• pp.626-632
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• 1993

에너지 치환기를 갖는 옥세탄 유도체(AMMO, BAMO, NMMO, BNMO)를 합성하였으며, 이들의 수율을 높이고 대량생산을 하기 위하여 조건을 최적화하였다.

• Bulletin of the Korean Chemical Society
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• 제24권11호
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• pp.1649-1654
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• 2003

We have investigated substituent effect on the stabilization energies, and nucleus-independent chemical shifts of pentafulvalenes and on the electronic structures of the corresponding polypentafulvalenes to design environmentally stable semiconductive or conductive polymers. Geometrical optimizations of the molecules were carried out at the density functional level of theory with B3LYP hybrid functional and 6-311+G(d) basis set. Stabilization energies were estimated using isodesmic and homodesmotic reactions. As a criterion of aromaticity nucleus-independent chemical shifts of the molecules were computed using GIAO approach. For the polymers the geometrical parameters were optimized through AM1 band calculations and the electronic structures were obtained through modified extended Huckel band calculations. It is found that strong electronwithdrawing substituents increase isodesmic and homodesmotic stabilization energies of pentafulvalene, though it does not increase the aromaticity. Nitro-substituted pentafulvalene is estimated to have stabilization energy as much as azulene. However, substitution either with electron-donating groups or with electronwithdrawing groups does not significantly affect the electronic structures of polypentafulvalene and poly (vinylenedioxypentafulvalene).

• Bulletin of the Korean Chemical Society
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• 제27권11호
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• pp.1737-1740
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• 2006

The optimized structures and complexation energies of bis(18-crown-6-ether) analogue (2) of Trgers base (1) with a series of primary alkylbisammonium ions have been calculated by DFT B3LYP/6-31G(d,p) method. The calculated complexation efficiency (-142.84 kcal/mol) of 2 for butane-1,4-diylbisammonium guest is better than twice of the value (-61.40 kcal/mol) for butylammonium ion. The multiple hydrogen-bond abilities for the complexes are described as the function of the length of the alkyl substituents of the bisammonium guests with normal-alkyl chain [$-(CH_2)_{n-}$, n = 4-8]. The longer bisammonium guest shows the stronger hydrogen-bonding characterizations (the distance and the quasi-linear angle of the N-H…O) to the host 2 than the shorter bisammonium ions. These calculated results agree with the experimental data of the complexation of 2 with bisammonium salts ([$NH_3(CH_2)_nNH_3$] $Cl_2$).

• Macromolecular Research
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• 제14권3호
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• pp.306-311
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• 2006

New unsymmetrical ($\alpha$-Diimine)nickel(II) catalysts having different pendent groups at the ortho positions on aromatic rings were synthesized and subjected to propylene polymerizations with MAO (methylaluminoxane). Structural analyses of the resulting polypropylenes by $^1H\;and\;^{13}C\;NMR$ showed that the ortho substituents on aromatic rings of ($\alpha$-diimine)nickel(II) catalyst affected significantly the polypropylene microstructure. While $C_s$ symmetric catalyst afforded a syndiotactic polypropylene (rr triad content=66%) due to the syndiospecific chain end control, $C_1$ symmetric catalysts produced much less stereoregular polypropylenes (rr triads content <50%), presumably because of collision of the isospecific site control with the syndiospecific chain end control.

• 약학회지
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• 제44권4호
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• pp.358-361
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• 2000

Parameter focusing on the DNA topoisomerase-Iinhibition with X-substituted phenyl substituents in 1-(2-furyl)-3-phenylpropenone derivatives as inhibition material were analyzed. From the basis on the results the inhibition on DNA topoisomerase I suggested that the inhibition activities of X-substituted phenyl substitutents would depend largely on the net charge of $\beta$-carbon atom, LUMO energy (e.v.) and STERIMOL parameter B$_{5}$ (width) of X. Among them, non-substituent (X=H), 1 and 2,2-dichloro substituent, 4 showed the highest DNA topoisomerase-I inhibition activity.y.

• 한국군사과학기술학회지
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• 제20권6호
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• pp.781-787
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• 2017

A new method for synthesizing the tetrazole derivatives from secondary amines through cyanation/tetrazolation has been developed. Trichloroacetonitrile is used as the cyano source to synthesize N-nitrile instead of highly toxic and expensive cyanogen bromide. In this protocol, the reaction of secondary amines with various substituents proceed smoothly, and the desired tetrazole derivatives are obtained directly in fair to high yields without isolation of intermediate cyanamides.

• 한국염색가공학회지
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• 제9권6호
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• pp.1-9
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• 1997

Four aminoazobenzene disperse dyes derived from different N-ethyl-N-substitutedalkylanilines and 2-chloro-4-nitroaniline, were synthesized and their chemical structure were analyzed by 500 MHz NMR spectroscopy. The wavelength of maximum absorption of the synthesized dyes, which was dependent on the electron withdrawing ability of the substituent, was in the range of 499.5~526.0nm. As terminal substituent became polar, the dyeing rate of disperse dye increased, and the exhaustion rate of dyes having cyano or hydroxy group became lower, that of the dye having acetoxy group higher. The wash fastness of polyester fabric dyed with disperse dyes possessing the polar group improved probably due to the increased dye-fiber interaction.