- Novel bi-cyclic or tri-cyclic heterocyclic compound
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The present invention provides novel bi-cyclic or tri-cyclic compound represented by formula (I) or pharmaceutical acceptable salt thereof, [wherein, ring A is an aromatic group which may be substituted, one of X1 and X2 is a carbon atom, and another is a nitrogen atom, X3 is a nitrogen atom or CR2, X4 is a nitrogen atom or CR3, X5 is a sulfur atom or -CH=CH-, Z1 is an oxygen atom, -C(R6)(R7)-, -NH-, -C(R6)(R7)-NH-, -NH-C(R6)(R7)-, -C(R6)(R7)-O-, -O-C(R6)(R7)- or a single bone, one of Z2 and Z3 is CH and another one is a nitrogen atom, or both are nitrogen atoms, the other symbols are same as those defined in the specification.]
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Paragraph 5131 - 5133
(2016/10/07)
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- Kinetics of Cyclopropyl Radical Reactions. 3. Study of Some 1-Substituted Cyclopropyl Radicals by EPR Spectroscopy. The Inversion Barrier for 1-Methylcyclopropyl
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The 1-methyl-, 1-ethoxy-, and 1-chlorocyclopropyl radicals have been observed by low-temperature EPR spectroscopy in "frozen" configurations in which the ring hydrogens that are syn and anti to the unpaired elecron's orbital have different hyperfine splittings.The aH(syn)/aH(anti) ratios are 1.5 (CH3), 1.8 (EtO), and 1.9 (Cl), all considerably lower than the ratio of ca. 3.3 found by Kawamura et al. for methyl-substituted 1-fluorocyclopropyl radicals.The out-of-plane angles of the 1-substituent have been calculated from measured a13Cα values to be 22.5 deg (cyclopropyl), 22.9 deg (CH3), 29.1 deg (EtO), and 5.8 deg (MeSi).These angles are considerably smaller than those that have been calculated for some of these radicals by ab initio and other methods.Variable-temperature EPR spectroscopy on 1-methylcyclopropyl yields the following Arrhenius equation for its inversion: log (kinv/s-1) = (13.1 +/- 0.3) - (3.1 +/- 0.2)/2.3RT kcal/mol.For 1-ethoxycyclopropyl the rate constant for rotation about the .C-OEt bond can be represented by log (krot/s-1) = (12.5 +/- 0.2) - (5.8 +/- 0.2)/2.3RT.The barrier to inversion of this radical is >/= 9 kcal/mol.The 1-chlorocyclopropyl radical could only be observed at very low temperatures.
- Deycard, S.,Hughes, L.,Lusztyk, J.,Ingold, K. U.
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p. 4954 - 4960
(2007/10/02)
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