• Title/Summary/Keyword: Cyclopropane

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Crystal Structure of a Cyclopropane Sorption Complex of Dehydrated Fully $Ca^{2+}$-Exchanged Zeolite X

  • 최은영;김양;송성환
    • Bulletin of the Korean Chemical Society
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    • v.20 no.7
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    • pp.791-795
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    • 1999
  • The crystal structure of a cyclopropane sorption complex of dehydrated fully Ca (2+) -exchanged zeolite X, Ca46Si100Al92O384· 30C3H6 (a = 24.988(4) Å), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1)℃. The crystal was prepared by ion exchange in a flowing stream of 0.05M aqueous Ca(NO3)2 for four days, followed by dehydration at 460℃ and 2×10 (-6) Torr for two days, and exposure to 100 Torr of cyclopropane gas at 21(1)℃. The structure was determined in this atmosphere and refined to the final error indices R1 = 0.068 and R2 = 0.082, with 373 reflections for which I > 3σ (I). In this structure, Ca 2+ ions are located at two crystallographic sites. Sixteen Ca 2+ ions fill the octahedral sites I at the centers of the hexagonal prisms (Ca-O = 2.412(9)Å). The remaining 30 Ca 2+ ions are at sites Ⅱ; each extends 0.46Å into the supercage (an increase of 0.16Å upon C3H6 sorption) where it coordinates to three trigonally arranged framework oxygens at 2.311(8)Å. Each of the 30 cyclopropane molecules was found to complex to Ca 2+ ions at site II by the induced dipole interaction (Ca-C = 2.99(4)Å). All carbon atoms in each cyclopropane molecule are equivalent and equidistant from Ca 2+ ions at site II with which they are associated.

Theoretical Study of the Hydroalumination Reaction of Cyclopropane with Alane

  • Singh, Satya Prakash;Thankachan, Pompozhi Protasis
    • Journal of the Korean Chemical Society
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    • v.57 no.2
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    • pp.216-220
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    • 2013
  • The hydroalumination of cyclopropane has been investigated using the B3LYP density functional method employing several split-valence basis sets. It is shown that the reaction proceeds via an intermediate weakly bound complex and a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.

Studies on Some Bioactive 1,1-Bis(2-benzylidene-5-aryliden-1,3-thiadiazolidin-4-one)cyclopropane

  • Panwar, Hemant;Chaudhary, Nidhi;Singh, Sachi;Chawla, Amit
    • Journal of the Korean Chemical Society
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    • v.55 no.6
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    • pp.994-999
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    • 2011
  • Some novel heterocyclic derivatives of 1,1-bis(2-phenyl-5-arylidine-1,3-thiadiazolidin-4-one)cyclopropane 4(a-i) have been synthesized from cyclopropane dicarboxylic acid and substituted thiadiazole moieties. All the synthesized compounds have been characterized by elemental and spectral (I.R., $^1H$-NMR, Mass) analysis. Furthermore, above said compounds were screened for their antifungal and antibacterial activities. Compound 4c was found the most potent one which further evaluated for lesser toxicity test.

Addition Reaction of Cyclopropane with Magnesium Dihydride (MgH2): A Theoretical Study

  • Singh, Satya Prakash;Meena, Jay Singh;Thankachan, Pompozhi Protasis
    • Journal of the Korean Chemical Society
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    • v.57 no.6
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    • pp.697-702
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    • 2013
  • The addition reaction of cyclopropane with $MgH_2$ has been investigated using the B3LYP density functional method employing several split-valence basis sets. Both along the and perpendicular to the cyclopropane ring approach has been reported. It is shown that the reaction proceeds via a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.

Comparing the Stability of Geometrically rigid Tricyclopropyl Carbinyl Cations by $^{19}$F NMR Spectroscopy

  • Shin, Jung-Hyu;Kim, Kyong-Tae;Shin, Hun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.8 no.3
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    • pp.144-145
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    • 1987
  • The relative stability as function of geometry in the rigid tricyclopropylcarbinyl cations with varied bond angle (${\alpha}$) between the plane of cyclopropane ring and the bond connecting cyclopropane ring to cationic carbon was examined by $^{19}F$ nmr spectroscopy. 7-p-Fluorophenyltricyclo[2.2.2.$0^{2,6}$]octan-7-yl(4) and 8-p-fluorophenyltricyclo[3.2.2.$0^{2,7}$]nonan-8-yl cation (8) were generated from corresponding tertiary alcohols under stable ion conditions, and their $^{19}F$ chemical shifts were compared with those of model compounds such as 7-nortricyclyl cation (3) and tricyclo[3.3.1.$0^{2,7}$]octan-8-yl cation (7). Consequently, it is concluded that the varied orientation of bond angle (${\alpha}$) within in the bisected conformation does not affect degree of the charge delocalization into cyclopropane ring.

Efficient Synthesis of Spirobarbiturates and Spirothiobarbiturates Bearing Cyclopropane Rings by Rhodium(II)-Catalyzed Reactions of Cyclic Diazo Compounds

  • Wang, Xue;Lee, Yong Rok
    • Bulletin of the Korean Chemical Society
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    • v.34 no.6
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    • pp.1735-1740
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    • 2013
  • Rhodium(II)-catalyzed reactions of cyclic diazo compounds derived from barbituric acid and thiobarbituric acid with a variety of styrene moieties were examined. These reactions provide rapid synthetic routes to the preparations of spirobarbiturates and spirothiobarbiturates bearing cyclopropane rings.

Functional Characterization of Antagonistic Fluorescent Pseudomonads Associated with Rhizospheric Soil of Rice (Oryza sativa L.)

  • Ayyadurai, N.;Naik, P. Ravindra;Sakthivel, N.
    • Journal of Microbiology and Biotechnology
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    • v.17 no.6
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    • pp.919-927
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    • 2007
  • Antagonistic fluorescent pseudomonads isolated from rhizospheric soil of rice were characterized by 16S rRNA amplicon and fatty acid methyl ester (FAME) analyses. Antagonistic isolates were grown in the fermentation media, and production of antibiotics was confirmed by thin-layer chromatography (TLC) and high-performance liquid chromatography (HPLC). Production of fungal cell-wall-degrading enzymes such as protease, cellulase, pectinase, and chitinase was determined. Dendrogram based on the major and differentiating fatty acids resulted into 5 clusters, viz., cluster I (P. pseudoalcaligenes group), cluster II (P. plecoglossicida group), cluster III (P. fluorescens group), cluster IV (P. aeruginosa group), and cluster V (P. putida group). Characteristic presence of high relative proportions of cyclopropane (17:0 CYCLO w7c) was observed in antagonistic bacteria. Data revealed biodiversity among antagonistic fluorescent pseudomonads associated with the rice rhizosphere. Results presented in this study will help to identify the antagonistic isolates and to determine their mechanisms that mediate antagonism against fungal pathogens of rice.

The Reaction between Organothioenamine Phosphonate and Styrene Oxide (유기 티오엔아민 포스포네이트와 산화스티렌과의 반응)

  • Keun Jae Kim;Chi Sun Han
    • Journal of the Korean Chemical Society
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    • v.20 no.4
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    • pp.295-298
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    • 1976
  • The fact that a reaction between organothioenamine phosphonate and styrene oxide produces a derivative of cyclopropane has been proved by structural identification. This suggests that an anionic oxygen atom from the ring opening of the styrene oxide by nucleophilic attack of thioenamine phosphonate links to the phosphorous atom to from a betaine as an intermediate which is followed by cleavage of the weak P-C bond. The dextrorotatory optical activity of the product showed that the reaction was under the control of steric stability of the benzyl carbon in styrene which leads to the product through a sterically stable pathway.

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