• Bulletin of the Korean Chemical Society
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• 제1권2호
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• pp.54-57
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• 1980

Trichloromethylphosphonyl dichloride was prepared by the aluminium chloride method. We synthesized several heterocyclic compounds containing phosphorus atom by the stepwise esterification of trichloromethylphosphonyl dichloride with ethylene glycol, 2-mercaptoethanol, ethylene diamine, and 2-aminoethanol and the resulting heterocyclic compounds are 2-trichloromethyl-1,3,2-dioxa-, 2-trichloromethyl-1,3,2-thioxa-, 2-trichloromethyl-1,3,2-diaza-, 2-trichloromethyl-1,3,2-diaza-, and 2-trichloromethyl-1,3,2-oxazaphospholane-2-oxide. The best results were obtained in the solution of triethylamine as hydrochloric acid trapping agent. The structure of five-membered heterocyclic phosphonates were characterized by their IR, NMR, and elementary analysis and the mass spectra of the compounds were analyzed.

• Food Science and Biotechnology
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• 제17권5호
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• pp.1032-1037
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• 2008

Lowly volatile heterocyclic sulfur compounds generated in autoclaved garlic extract were isolated and identified, and their antimicrobial activity was determined. Two kinds of unusual volatile sulfur compounds were separated from heated garlic by preparative recycling high performance liquid chromatography (HPLC), and identified by gas chromatography (GC)-mass spectrometry (MS) and $^1H$-nuclear magnetic resonance (NMR). They had heterocyclic structures with 4 to 5 sulfur atoms in the molecules. 4-Methyl-1,2,3-trithiolane (MTTT) is highly volatile and was not able to be concentrated, and was identified by GCMS only. MTTT and 6-methyl-1,2,3,4,5-pentathiepane (MPTP) are lowly volatile and were obtained in pure states to be positively identified for the first time. All 3 heterocyclic sulfur compounds began to appear by the time when the early-formed diallyl sulfides started to disappear. The minimum inhibitory concentration range of MTTT and MPTP was determined to be between 1 and 6 ppm against all yeasts tested. MTTT and MPTP were lowly volatile and sparingly soluble in water.

• Mycobiology
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• 제36권1호
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• pp.66-69
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• 2008

A simple, efficient and cost effective method is described for the synthesis of Biginelli type heterocyclic compounds of dihydropyrimidinones analogous. They were prepared from a reaction mixture consisting of substituted benzaldehydes, thiourea and ethylacetoacetate using ammonium dihydrogenphosphate as catalyst. The procedure for the preparation of the compounds is environmentally benign and safe which is advantageous in terms of experimentation, catalyst reusability, yields of the products, shorter reaction times and preclusion of toxic solvents. The four new synthesised compounds were tested for their antifungal activity. They have good antifungal activity comparing to the standard (Fluconazole).

• Bulletin of the Korean Chemical Society
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• 제34권12호
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• pp.3690-3694
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• 2013

The $H_2Ge=Ge:$ and its derivatives ($X_2Ge=Ge:$, X = H, Me, F, Cl, Br, Ph, Ar${\ldots}{\ldots}$) is a new species. Its cycloaddition reactions is a new area for the study of germylene chemistry. The mechanism of the cycloaddition reaction between singlet state Cl2Ge=Ge: and formaldehyde has been investigated with CCSD(T)//MP2/$6-31G^*$ method. From the potential energy profile, it could be predicted that the reaction has only one dominant reaction pathway. The reaction rule presented is that the two reactants first form a fourmembered Ge-heterocyclic ring germylene through the [2+2] cycloaddition reaction. Because of the 4p unoccupied orbital of Ge: atom in the four-membered Ge-heterocyclic ring germylene and the ${\pi}$ orbital of formaldehyde forming a ${\pi}{\rightarrow}p$ donor-acceptor bond, the four-membered Ge-heterocyclic ring germylene further combines with formaldehyde to form an intermediate. Because the Ge: atom in intermediate hybridizes to an $sp^3$ hybrid orbital after transition state, then, intermediate isomerizes to a spiro-Ge-heterocyclic ring compound via a transition state. The research result indicates the laws of cycloaddition reaction between $H_2Ge=Ge:$ and formaldehyde, and laid the theory foundation of the cycloaddition reaction between $H_2Ge=Ge:$ and its derivatives ($X_2Ge=Ge:$, X = H, Me, F, Cl, Br, Ph, Ar${\ldots}{\ldots}$) and asymmetric ${\pi}$-bonded compounds, which is significant for the synthesis of small-ring and spiro-Ge-heterocyclic compounds. The study extends research area and enriches the research content of germylene chemistry.

• Bulletin of the Korean Chemical Society
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• 제26권4호
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• pp.585-588
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• 2005

Bipyridine and its derivatives have been widely used as the ligands in transition metal complexes. The proton affinities of pyridine derivatives were calculated using an ab initio quantum mechanical method (B3LYP with various double zeta and triple zeta basis sets) in combination with the Poisson-Boltzmann continuum solvation model. Van der Waals radii of the atoms in the heterocyclic rings for the solvation energy calculation were set to values determined to reproduce the $pK_a$ values of guanine and oxoguanine derivatives and that of chlorine was optimized to reproduce the experimental values of relating compounds. The $pK_a$ values for the heterocyclic ring compounds were in agreement with the experimental values with a mean unsigned error of 0.45 $pK_a$ units.

• 분석과학
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• 제11권4호
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• pp.292-296
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• 1998

헤테로 고리 화합물인 isoquinoline과 외부치환체로서 $COOCH_3$, CN 및 $CH_3$ 작용기들이 치환된 화합물들의 혼합물을 정상 및 역상법으로 분리 한 결과, 이동상의 종류에 따라 용리순서에 용매화 효과가 나타났다. 또한, 헤테로 고리 화합물 내부의 방향족성이 없는 2-methylindoline과 방향족성이 있는 2-methylindole, 그리고 헤테로 원자가 질소와 산소인 benzoxazole과 질소와 황인 benzothiazole의 머무름거동은 정상 액체 크로마토그래피의 경우 시료 분자와 충진제의 흡착 표면과의 흡착력으로 설명할 수 있었고, 역상 액체 크로마토그래피의 경우는 시료와 정지상과의 소수성 상호작용 등으로 설명할 수 있었다.

• Archives of Pharmacal Research
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• 제20권6호
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• pp.610-619
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• 1997

Some new 9H-thioxanthen-9-one incorporated into heterocyclic systems such as pyridone 8, pyrazoline 9, pyranone 11, iminopyrane 12, furopyrimidine 17, imidazothiazole 19, thiazole 21, triazine 24 and other related compounds through a para imminophenyl grouping at position-1 of the thioxanthenone ring were synthesized and tested as antitumor agents against L1210 leukemia in mice. Some of the new compounds showed considerable antitumor activity.

• 대한약학회:학술대회논문집
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• 대한약학회 2002년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2
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• pp.351.1-351.1
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• 2002

Heterocyclic compounds with oxygen atoms are known to have potent biological effect. The flavonoids. isoflavonoids. and coumarins which form the bulk of these compounds are very polar and have limited use as drugs which have to pass through membranes. The non-polar property is increased by exchange oxygen to selenium as a part of heterocyclic compound. Our group is focused on synthesizing selenoheterocyclic compound with the above property. (omitted)

• 한국연초학회지
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• 제30권1호
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• pp.33-38
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• 2008

This study was carried out to determine the analytical methods for heterocyclic amines(HAs) of the tobacco smoke by LC/MS/MS. HAs have been found in pyrolysate of protein and cooked food including protein, were known the Sugimura compound. HAs content of the smoke were known to exist very low ppb level. Especially, some of HAs are mutagenic and carcinogenic compounds. In according to IARC, the toxicity of N-heterocyclic amines classified IARC class 2A or 2B group. Precursors of these compounds are glutamic acid, protein and free amino acids including tryptophan, therefore, the precursors have been proved in cooked food continuously. This study was investigate multiple analysis methods for HAs and HAs contents of some commercial products. In this study, we used the linear type smoking machine for HAs analysis. At the ISO conditions, mainstream smoke was collected on cambridge filter pad, and then cambridge filter pad was extracted by 0.1% acetic acid. The extracted solution were passed cation exchange SPE cartridge to remove matrix, samples were analyzed using LC/MS/MS on MRM mode. From the result that optimized this methods, the correlation coefficient(R) of the individual compounds were good linearity over 0.999, recovery rate over 96% and the limit of detection were good values between 0.06 to 0.37 ng/mL, In addition, HAs content of some commercial products were in range of 0.02 to 43.8 ng/cig.

• 한국식품과학회지
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• 제20권1호
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• pp.119-124
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• 1988

식품의 안전성 평가를 위한 기초자료를 얻기 위하여, 식품의 가공, 저장 및 조리중에 식품성분간의 상호반응인 Maillard 반응을 이용하여 당의 분해로 생성되는 각종 카르보닐화합물을 강력한 돌연변이원성물질로 알려진 Trp-P-1, Trp-P-2, Glu-P-1, Glu-P-2 및 IQ에 각각 작용시켜서 이들 물질의 돌연변이성 억제효과를 연구 검토하였다. 그 결과, 카르보닐화합물에 의하여 돌연변이원성물질의 돌연변이원 활성이 크게 억제되었다. 사용한 카르보닐화합물중 ${\alpha}$-hydroxycarbonyl 화합물의 경우, glyceraldehyde, glycolaldehyde 및 dihydroxyacetone에서 돌연변이원성 억제효과가 크게 나타났다. ${\alpha}$-dicarbonyl 화합물의 경우, diacetyl에서 그 억제효과가 우수한 것으로 나타서, 전반적으로 ${\alpha}$-dicarbonyl 화합물이 ${\alpha}$-hydroxycarbonyl 화합물보다 돌연변이성 억제효과가 높게 나타났다. 한편, 공시한 카르보닐화합물 단독으로는 돌연변이 성을 나타내었으나, Trp-P-1등의 돌연변이원성물질과의 상호반응로 이들 두 물질의 돌연변이성이 동시에 소실되는 것이 입증되었다.