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911.
A general and practical procedure for the syntheses of 3,4-di-hydropyrimidine-2(1H)-thiones by a one-pot condensation of aldehyde,β-ketoester or β-diketone and thiourea using La(OTf)3 as the catalyst is described.Mild reaction conditions,excellent yields as well as the environmentally friendly character of La(OTf)3 make it an important alternative to the classic acid-catalyzed Biginelli‘s reaction. 相似文献
912.
Tao He Ying‐Fang Zou Cai‐Yuan Pan 《Journal of polymer science. Part A, Polymer chemistry》2002,40(20):3367-3378
Comb‐shaped graft copolymers with poly(methyl methacrylate) as a handle were synthesized by the macromonomer technique in two steps. First, polytetrahydrofuran acrylate (A‐PTHF), prepared by the living cationic ring‐opening polymerization of tetrahydrofuran, underwent homopolymerization with 1‐(ethoxycarbonyl)prop‐1‐yl dithiobenzoate as an initiator under 60Co γ irradiation at room temperature; Second, the handle of the comb‐shaped copolymers was prepared by the block copolymerization of methyl methacrylate with P(A‐PTHF) as a macroinitiator under 60Co γ irradiation. The two‐step polymerizations were proved to be controlled with the following evidence: the straight line of ln[M]0/[M] versus the polymerization time, the linear increase in the number‐average molecular weight with the conversion, and the relatively narrow molecular weight distribution. The structures of the P(A‐PTHF) and final comb‐shaped copolymers were characterized by 1H NMR spectroscopy and gel permeation chromatography. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 3367–3378, 2002 相似文献
913.
De‐Chun Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o351-o352
In the title compound, N‐(2‐methoxyphenyl)‐4‐nitrobenzylideneamine, C14H12N2O3, the two phenyl rings make a dihedral angle of 48.0 (2)° and the nitro group is at an angle of 6.5 (1)° with respect to its attached phenyl ring. In the crystal structure, molecules are related as centrosymmetric pairs through π–π interactions and are further connected through strong C—H?O hydrogen bonds [C?O 3.4259 (17) Å and C—H?O 167°], forming molecular stacks along [100]. These stacks associate further through longer C—H?O interactions, forming two‐dimensional networks. In the c direction, there are only weak van der Waals interactions. The relationship between the molecular planarity and its centrosymmetry is also briefly described. 相似文献
914.
Three new eremophilane‐type sesquiterpenes, (6β,8α)‐6‐(acetyloxy)‐8‐hydroxyeremophil‐7(11)‐en‐12,8‐olide ( 1 ), (6α,8α)‐6‐hydroxyeremophil‐7(11)‐en‐12,8‐olide ( 2 ), and (6α,8α)‐6‐(acetyloxy)eremophil‐7(11)‐en‐12,8‐olide ( 3 ) ((8α)‐eremophil‐7(11)‐en‐12,8‐olide = (4aR,5S,8aR,9aS)‐4a,5,6,7,8,8a,9,9a‐octahydro‐3,4a,5‐trimethylnaphtho[2,3‐b]furan‐2(4H)‐one), besides the recently elucidated eremoligularin ( 4 ) and bieremoligularolide ( 5 ), as well as a new highly oxygenated monoterpene, rel‐(1R,2R,3R,4S,5S)‐p‐menthane‐1,2,3,5‐tetrol ( 12 ), together with six known constituents, i.e., the sesquiterpenes 6 and 7 , the norsesquiterpenes 8 – 10 , and the monoterpene 13 , were isolated from the roots of Ligularia muliensis. In addition, an attempt to dimerize 1 to a bieremophilenolide (Scheme) resulted in the generation of the new derivative (6β,8β)‐6‐(acetyloxy)‐8‐chloroeremophil‐7(11)‐en‐12,8‐olide ( 11 ). The new structures were established by means of detailed spectroscopic analysis (IR, FAB‐, EI‐, or HR‐ESI‐MS as well as 1D‐ and 2D‐NMR experiments). Compounds 4 and 5 were evaluated for their antitumor effects in vitro (Table 3). 相似文献
915.
Hua Xiao Bei Feng‐Li Wang Xin Yang Xu‐Jie Lu Lu‐De 《International journal of quantum chemistry》2006,106(5):1145-1152
A theoretical study of the polymerization reaction mechanism of maleic anhydride (MA) initiated by hydrate is presented. The reaction pathway has been studied with the density functional theory (DFT) method at the B3LYP/6‐311G** level. The geometrical parameters of transition states (TS) are optimized; intrinsic reaction coordinate (IRC) calculations have also been performed to obtain further credible features. Frequency analyses of all the stationary points are calculated at the same basis sets. The total energies of all geometries are corrected at second‐order Møller–Plesset (MP2)/6‐311G**. Calculation results reveal that the reaction mechanism is attributable to anion polymerization. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006 相似文献
916.
Yi‐Xun Zhang Shauntina H. Jackson Mohamed S. Rajab Frank R. Fronczek Steven F. Watkins 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o219-o221
3β‐Hydroxy‐7‐drimen‐12,11‐olide hemihydrate, C15H22O3·0.5H2O, (I), has two sesquiterpene molecules and one water molecule in the asymmetric unit. The OH groups of both molecules and both H atoms of the water molecule are involved in near‐linear intermolecular hydrogen bonds, having O⋯O distances in the range 2.632 (3)–2.791 (2) Å. 3β‐Acetoxy‐7‐drimen‐12,11‐olide, C17H24O4, (II), has its ring system in very nearly the same conformation as the two molecules of (I). 相似文献
917.
918.
919.
Fluorinated phenethyl bromides 1,2 , and 3 , prove to be totally inert under Ritter reaction conditions in the presence of either SnCl4 or AgNO3, due to the strong deactivation by the gem‐difluoro unit. Subjecting 2‐bromo‐1‐fluoro‐1‐phenylethane to SnCl4 in MeCN at elevated temperatures led to formation of 2‐methyl‐4‐phenyl‐4,5‐dihydrooxazole. 相似文献
920.
Jose G. Trujillo‐Ferrara Rosa Luisa Santilln‐Baca Norberto Farfn‐García Itzia I. Padilla‐Martínez Efrn V. García‐Bez 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):o125-o128
The molecular and supramolecular structures of 2‐(1,3‐dioxo‐2,3,3a,4,7,7a‐hexahydro‐1H‐isoindol‐2‐yl)phenyl acetate, C16‐H15NO4, (I), and its para isomer, 4‐(1,3‐dioxo‐2,3,3a,4,7,7a‐hexahydro‐1H‐isoindol‐2‐yl)phenyl acetate, (II), are reported. The torsion angle between the succinimide and benzene rings depends on the position of the acetoxy substitution [89.7 (1) and 61.9 (1)° for (I) and (II), respectively]. The twist of the acetoxy group relative to the mean plane of the benzene ring is almost independent of the acetoxy position [66.0 (1) and 70.0 (1)°]. Packing interactions for both compounds include soft C—H⋯X (X = O and Ph) interactions, forming chains of centrosymmetric dimers and interlinked chains for (I) and (II), respectively. In addition, three perpendicular dipole C=O⋯C=O interactions contribute to the supramolecular structure of (II). 相似文献