• Title/Summary/Keyword: Substituted

Search Result 3,535, Processing Time 0.032 seconds

Synthesis of 2-n-Butyl-3-fluoropyrrole Derivatives

  • Kim, Bo-Mi;San, Quan-Ze;Bhatt, Lok Ranjan;Jung, Dong-Woon;Lee, Young-Hang;Chai, Kyu-Yun
    • Bulletin of the Korean Chemical Society
    • /
    • v.30 no.6
    • /
    • pp.1293-1296
    • /
    • 2009
  • A new series of N-substituted 2-n-butyl-3-fluoropyrroles were prepared by a simple one-pot reaction designed of retrosynthesis. $\alpha,\alpha-Difluoro-\gamma-iodo-\gamma$-(trimethylsilyl)propyl n-butyl ketone, a component precursor molecule to 2-n-butyl-3-fluoropyrroles, was prepared with Cu(0) catalyst. It reacted with various primary amines to yield N-substituted 2-n-butyl-3-fluoropyrroles. The products were synthesized via a one-pot reaction scheme between $\alpha,\alpha-Difluoro-\gamma-iodo-\gamma$-(trimethylsilyl) propyl n-butyl ketone and primary amines in excess ( $\geq$ 5 molar equivalence), which eliminate the need of KF required in obtaining n-butyl-1H-3-fluoropyrrole. The yield of products depended reversely on spatial bulkness around N-binding carbon.

Reactioin Characteristics of the Sm2Fe17-xGax(x0, 2) Alloy with Hydrogen and Methane Gas

  • Shon, S.W;Kwon, H.W
    • Journal of Magnetics
    • /
    • v.4 no.4
    • /
    • pp.123-127
    • /
    • 1999
  • The Ga-stabilised $Sm_2Fe_{17-}$type alloy can hardly be disproportionated under ordinary HDDR condition. The HDDR characteristics of Ga-substituted $Sm_2Fe_{17-}$type alloy were examined, and, in particular, the effect of particle size on the disproportionation of the Ga-substituted alloy was investigated in detail. The reaction characteristics of the $Sm_2Fe_{17-}$type alloys with or without Ga-substitution with methane (CH4) gas are also examined. The Ga-stabilised $Sm_2Fe_{17-}$type alloy was able to be disproportionated significantly on heating up to 80$0^{\circ}C$ under hydrogen with normal pressure. The particle size influenced significantly on the disproportion-ation of the Ga-substitute alloy, and the materials with finer particle size (<40 ${\mu}{\textrm}{m}$) was fully disproportionated on heating up to around 80$0^{\circ}C$ under hydrogen gas with normal pressure. The Ga-substituted alloy has a very sluggish recombination kinetics with respect to the alloy without Ga-substitution. The $Sm_2Fe_{17}C_{x-}$type carbide was stabilised significantly by the Ga-substitution for Fe in the parent alloy. While the $Sm_2Fe_{17}C_x$ was disproportionated below 80$0^{\circ}C$ the Ga-stabilised $Sm_2Fe_{14}Ga_2C_x$ carbide remained intact even on heating up to 80$0^{\circ}C$.

  • PDF

Novel 5-Fluorouracil Derivatives: Synthesis and Cytotoxic Activity of 2-Butoxy-4-Substituted 5-Fluoropyrimidines

  • Sun, Jian;Zhang, Shi-Jie;Li, Hai-Bo;Zhou, Wei;Hu, Wei-Xiao;Shan, Shang
    • Bulletin of the Korean Chemical Society
    • /
    • v.34 no.5
    • /
    • pp.1349-1354
    • /
    • 2013
  • Twenty two new 5-fluorouracil (5-FU) derivatives, 2-butoxy-4-substituted 5-fluoropyrimidines, were synthesized and characterized by IR, $^1H$ NMR, MS, HRMS. All compounds were preliminarily evaluated by MTT assay on human liver BEL-7402 cancer cell line in vitro. Ten compounds were selected to test their cytotoxic activity against A549, HL-60 and MCF-7 cancer cell lines in vitro. These compounds were more sensitive to BEL-7402 than other cell lines, particularly, cytotoxic activity of compounds 6b, 6d-f, 6p, 6s-u were in sub-micromolar scale. The highest cytotoxic potency against A549, HL-60 and MCF-7 was shown by 2-butoxy-4-chloro-5-fluoropyrimidine (5) with $IC_{50}$ values of 0.10, 1.66 and $0.59{\mu}M$, respectively. Compounds 6d and 6e were effective against MCF-7 with $IC_{50}$ $9.73{\mu}M$ and HL-60 with $IC_{50}$ $8.83{\mu}M$, respectively.

The Solvolytic Reaction Mechanism of p-Substituted Benzyl Bromides (파라-치환 브롬화 벤질의 가용매 분해반응 메카니즘)

  • Lee, Ik Chun;Eom, Tae Seop;Sung, Dae Dong;Lee, Jong Pal;Park, Hyeon Seok
    • Journal of the Korean Chemical Society
    • /
    • v.34 no.1
    • /
    • pp.10-18
    • /
    • 1990
  • Solvolyses of p-substituted benzyl bromides have been studied in dimethylsulfoxide-water and N,N-dimethylformamide-water mixtures by kinetic method. To determine the ionizing power, Y and the nucleophilicity, $N_{BS}$, the solvolyses of 1-adamantyl halides, t-butyl halides, and methyl tosylate in the same solvent mixtures have been investigated. The solvatochromic parameters for each dimethylsulfoxide-water mixtures have been determined by substituting into the Taft's linear solvatochromic energy relationships with measured $ν_{max}$. The solvolyses of p-substituted benzyl bromides have been found to proceed by borderline mechanism in which bond formation is more advanced than bond cleavage in the transition state based on the m, l values and ${\beta},{\rho}_s$, values.

  • PDF

Ab Initio Studies on Proton Affinities of Substituted Furans (치환 퓨란의 양성자 친화도에 대한 Ab Initio 연구)

  • Lee, Gab Yong;Lee, Hyun Mee
    • Journal of the Korean Chemical Society
    • /
    • v.42 no.4
    • /
    • pp.391-397
    • /
    • 1998
  • The geometry of furan, relevant to the binding of bis-furan lexitropsin that contains this ring to the base pair of minor groove of DNA, is optimized by semiempirical (MNDO) and ab initio (Hartree-Fock) methods. The proton affinity and electronic structure are evaluated at the 6-31G and $6-31G^{\ast}$ level of theory for the optimized geometry. The proton affinities are also studied for various substituted furans with the electrondonating and -withdrawing groups to estimate the substituent effect on the proton affinity of furans. It has been found that the electron-donating substituents increase the proton affinity of furan, whereas the electron-withdrawing substituents decrease it. This result can be explained with atomic charge and electron density at oxygen of substituted furans.

  • PDF

Synthesis and SAR Studies for the Inhibition of TNF-$\alpha$ Production. Part 2. 2-[3-(Cyclopenthloxy)4-Methoxyphenyl]-Substituted-1-Isoindolinone Derivatives

  • Park, Joon-Seok;Moon, Seong-Cheol;Baik, Kyung-Up;Cho, Jae-Youl;Yoo, Eun-Sook;Byun, Young-Seok;Park, Myung-Hwan
    • Archives of Pharmacal Research
    • /
    • v.25 no.2
    • /
    • pp.137-142
    • /
    • 2002
  • This study describes the synthesis and in vitro evaluation of 2-[3- (Cyclopenthloxy) 4-Methoxyphenyl] - Substituted-1-Isoindolinone derivatives substituted on benzene moiety of isoindoline ring for the inhibition of $TNF-{\alpha}$ production. From this study, we have found the 6-C position on isoindolinone ring is an optimal derivatization site. Among the compounds synthesized, 6-ammo-2-[3-(cyclopentyloxy)-4-methoxyphenyl]-1-isoindolinone (6) was the most potent in inhibitory activity of $TNF-{\alpha}$ production in LPS-stimulated RAW264.7 cells.

A Study on the Utilization of Substituted Agricultural Land in Small and Medium Sized Cities - Focused on the Dongtan new town in Hwa-seong city - (중소도시의 기존 대체농지 활용 방안에 관한 연구 - 화성동탄 신도시를 중심으로 -)

  • Kim, Yong-Soo
    • Journal of the Korean Institute of Rural Architecture
    • /
    • v.14 no.2
    • /
    • pp.51-58
    • /
    • 2012
  • The purpose of this study was to set and analyze the utilization of the substituted agricultural land in the Dongtan new town in Hwa-seong city. The results of this study were as follows. In the respect of the land efficiency and utilization, the need of the agricultural land in the Dongtan has shrunk. Therefore, the land should be reconsidered and developed as other purposes. The land could be developed as the weekend farm for the city people. The weekend farm is currently gaining popularity because the citizens want to not only experience the nature but also get a healthy food. So, the land in the new town could provide them with a good place. And the Han-ok(Traditional Korean style housing) is recently in the limelight of many people because of its healthy function and the special aesthetic, so the agricultural land of Dongtan could be a great opportunity to develop the Han-ok village. Lastly, the logistics center for agricultural products could be proposed. Because the traffic condition of the new town is satisfactory, the land is idealistic as the logistics center which connect the capital with the local. These practical uses of agricultural land in the Dongtan new town will be able to provide opportunities to improve the quality of life in the area and develop the land more efficiently.

Anti-inflammatory effect of new calcium hydroxide paste containing silicon-substituted hydroxyapatite in lipopolysaccharide-stimulated macrophages

  • Roh, Ji-Yeon;Kim, Ki-Rim
    • Journal of Korean society of Dental Hygiene
    • /
    • v.18 no.4
    • /
    • pp.423-432
    • /
    • 2018
  • Objectives: Calcium hydroxide, a root canal temporary sealer, has long been used and it has anti-bacterial and anti-inflammatory activity. To investigate the properties of a newly developed calcium hydroxide paste comprising silicon-substituted hydroxyapatite (Si-HA), we examined the anti-inflammatory activity of the new calcium hydroxide paste in RAW 264.7 macrophages stimulated by lipopolysaccharide (LPS), which causes infection of the root canal. Methods: The test materials, including Calcipex II as control group and the newly developed TRC paste, were extracted from cell culture media and then diluted for experiment. In LPS-stimulated RAW 264.7 cells, the cytotoxicity and nitric oxide (NO) production of test materials were measured by MTT assay and Griess reagents, respectively. Also, the expression of the inducible nitric oxide synthase (iNOS) was assessed by western blotting. Results: The IC50 values of Calcipex II and TRC paste were $17.6mg/m{\ell}$ and $13.5mg/m{\ell}$, respectively. The level of NO, increased by LPS, was dose-dependently inhibited more by TRC paste than Calcipex II treatment. In addition, iNOS expression was decreased by 71% and 92% at concentrations of $2mg/m{\ell}$ and $20mg/m{\ell}$ of TRC paste, respectively. Conclusions: We demonstrated that the Si-HA calcium hydroxide paste has a slightly improved anti-inflammatory property and further studies are needed before clinical recommendations are proposed.

Ferroelectric Properties and Microstructure of Pr-Substituted Bismuth Titanate Prepared by Chemical Solution Deposition (화학 용액 증착법으로 얻어진 $Bi_{4-x}Pr_{0.7}Ti_3O_{12}$ 박막의 강유전성과 미세구조에 관한 연구)

  • Kang, Dong-Kyun
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
    • /
    • 2006.06a
    • /
    • pp.290-291
    • /
    • 2006
  • The effect of praseodymium substitution on the ferroelectric properties of $Bi_4Ti_3O_{12}$ thin films have been investigated. Ferroelectric Pr-substituted $Bi_4Ti_3O_{12}$ thin films were fabricated by chemical solution deposition onto Pt/Ti/$SiO_2$/Si substrates. The structure and morphology of the films were analyzed using Xray diffraction, and scanning electron microscopy, respectively. About 200-nm-thick BPT films grown at $720^{\circ}C$ exhibited a polycrystalline structure and showed excellent ferroelectric properties with a remanent polarization ($2P_r$) of $28.21\;{\mu}C/cm^2$ at an applied voltage of 5 V. The films a1so demonstrate fatigue-free behavior up to $10^{11}$ read/write switching cycles with 1 MHz bipolar pulses at an electric field of ${\pm}5\;V$.

  • PDF

Calculation of $^{13}C, ^{15}N,\; and \;^{29}Si$ NMR Shielding Tensors for Selected X-Substituted Silatranes Using GIAO/CSGT-SCF

  • 김동희;이미정;오세웅
    • Bulletin of the Korean Chemical Society
    • /
    • v.19 no.8
    • /
    • pp.847-851
    • /
    • 1998
  • 13C, 15N, and 29Si NMR chemical shifts have been computed for selected X-substituted silatranes (X=Cl, F, H, CH3) using Gauge-Including Atomic Orbitals (GIAO) and Continuous Set of Gauge Transformations (CSGT) at the Hartree-Fock level of theory. The isotropic 13C chemical shifts are largely insensitive to substituent-induced structural changes. In this study, the isotropic 13C chemical shifts GIAO and CSGT calculations at the HF/6-31G and HF/6-31G* levels are sufficiently accurate to aid in experimental peak assignments. The isotropic 13C chemical shifts X-substituted silatranes at HF/6-31G* level are approximately 4 ppm different from the experimental values. In contrast, the isotropic 15N and 29Si chemical shifts and the chemical shielding tensors are quite sensitive to substituent-induced structural changes. These trends are consistent with those of the experiment. The 15N chemical shift parameters demonstrate a very clear correlation with Si-N distance, especially when we use the polarization function. Changes in anisotropy, 3a as well as in the 15N isotropic chemical shifts are due primarily to changes in the value of a.. But in case of "Si the correlations are not as clean as for the 15N chemical shift.