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在THF溶液中合成了标题化合物3-氯-4-二苄胺基-5-甲氧基-2(5H)-呋喃酮,并用FT-IR、UV-Vis、1HNMR、13C NMR、MS、元素分析和X-射线衍射等进行了表征。结果表明此化合物属正交晶系,空间群为Pbca,晶胞参数为:a=15.891(16),b=11.126(11),c=19.778(19),α=β=γ=90°,V=3497(6)3,Z=8,Dc=1.306Mg/m3,μ=0.234 mm-1,F(000)=1440。在化合物的分子结构中,两个苯环几乎垂直于呋喃酮平面,且它们与呋喃酮平面的两面角分别为89.38°和88.19°。 相似文献
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5-苯基-3,5-二乙氧基-2(5H)-呋喃酮的晶体结构 总被引:1,自引:0,他引:1
标题化合物C14H16O4的晶体结构用X-射线单晶衍射法测定。晶体属三斜晶系,P空间群,晶胞参数a =8.696(2), b=8.943(2) , c=9.379(2) ?, ( = 69.28(3), ( =76.67(3), ( =80.28(3)o, V=660.8(3) ? 3, Z=2, Mr=248.28, Dx=1.248 g/cm3, F(000)=264, μ(MoK()=0.0851 mm—1。晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R=0.061, wR=0.089。标题化合物有2个环:呋喃酮环和苯环。由C(1),C(2),C(3),C(4),O(4)构成的五元呋喃酮环的5个原子较好地处于1个平面上,平均偏差为0.0078?。O(2),O(3) 两个原子与呋喃酮环共平面。呋喃酮环和苯环之间的两面角为79.39o。 相似文献
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在Et3N作为碱的温和条件下,5-(S)-孟氧基-3,4-二卤-2(5H)-呋喃酮与芳香胺4-硝基邻苯二胺发生串联的Michael加成―消除反应,生成了新的含有苯环结构的5-孟氧基-4-氨基-3-卤-2(5H)-呋喃酮类化合物。新化合物的结构通过紫外―可见光谱(UV-Vis)、红外光谱(IR)、质谱(MS)、核磁共振氢谱(1H NMR)、核磁共振碳谱(13C NMR)和元素分析等表征证实。该多环结构卤代2(5H)-呋喃酮化合物的合成,能为某些多官能团的结构复杂的2(5H)-呋喃酮化合物的合成提供新途径。 相似文献
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利用新手性源,5-(l-孟氧基)-3-氯-2(5H)-呋喃酮4与亲核试剂吗啉通过串联不对称双Michael加成/分子内亲核取代反应合成了一般方法难以得到的含有多个手性中心的螺-环丙烷双内酯化合物C32H50O7NCl.其单晶为C32H50O7NCl(OC3H6)0.5,正交晶系, 空间群为P212121, 晶胞参数a = 17.149(3), b = 20.384(4), c = 10.831(2) , V = 3786.1(12) 3, Z = 4, Dc = 1.097 g/cm3, F(000) = 1352, μ= 0.144 mm-1; 射线类型为MoK?( = 0.71073 ?, 偏离因子R = 0.0755, wR = 0.1956, 独立衍射点3710个, 其中可观测点数2318个.分子中共有六个环, 12个手性中心, 3个六元环呈椅式构象, 两个五员内酯环呈信封式构象, 并分别与环丙烷形成[2.4]螺环和 [3.1.0] 稠环, 4个新生成的手性中心的绝对构型为C(3)(S), C(4)(S), C(5)(R), C(8)(R). 相似文献
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以苯甲酰丙酮与1,4-丁二胺经缩合反应制得一个新的席夫碱配体——N,N'-双(苯甲酰丙酮)-1,4-丁二胺(L);L与硝酸银经配位反应合成了配合物[Ag_2(L)(NO_3)_2]_n(1),其结构经1H NMR,13C NMR,FT-IR,元素分析和X-射线单晶衍射表征。晶体结构解析表明:1(CCDC∶1 434 692)属单斜晶系,空间群P21/c,晶胞参数a=0.997 81(5)nm,b=0.778 36(4)nm,c=1.704 13(8)nm,β=106.637 0(10),V=1.261 85(11)nm3,Z=2,Dc=1.884 g·cm~(-3),R1=0.020 8,wR_2=0.054 4。1中每个银离子为扭曲四面体的配位构型,分别和相邻配体的γ-碳原子,氧原子及两个NO_3~-的氧原子配位;每个配体作为四齿配体,分别用两端的γ-碳原子,氧原子和四个银离子配位形成1D链结构,1D通过NO_3~-与银离子配位扩展形成3D网状结构。热稳定性研究结果表明:L和1的初始分解温度分别为300℃和200℃。 相似文献
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The title compound,N,N′-bis-[3-chloro-5-S-(l-menthyloxy)-2(5H)-4-furanon-yl]-propane-1,3-diamine(C31H48Cl2N2O6,Mr = 615.61),has been synthesized and characterized by IR,1H NMR,MS,elemental analysis and single-crystal X-ray diffraction.The crystal crystallizes in the monoclinic system,space group C2 with a = 16.1091(4),b = 11.1880(3),c = 19.2854(5) ,β = 106.297(2)°,V = 3336.12(15) 3,Z = 4,Dc = 1.226 mg/m3,μ = 0.237 mm-1,F(000) = 1320,the final R = 0.0531 and wR = 0.0700 for 2760 observed reflections(I > 2σ(I)).X-ray analysis reveals that the title compound possesses four rings:two chiral five-membered furanone rings and two six-membered cyclohexane rings with chair conformation,containing eight chiral centers:C2(S),C3(R),C5(R),C10(S),C18(S),C21(R),C22(S) and C25(R).The structure is stabilized by N-H…O hydrogen bonding interaction. 相似文献
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In this paper, stereocontrolled tandem Michael addition-elimination reaction of the novel chiral source, 5-(l-menthyloxy)-3,4-dichloro-2(5H)-furanone, with various thiols and amines has been investigated. A series of new enantiomerically pure compounds, 5–(l-menthyloxy)-4-substituted-3-chloro-2(5H)-furanones, were obtained in good yields with d. e. ? 98% under mild conditions. 相似文献
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1INTRODUCTIONSeveralimportantapproachestothesynthesisandpropertiesofchiralγ alkyloxybutenolideshaveatractedmuchatentionowingt... 相似文献
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LI Fanga PAN Fu-Youa② YANG Jian-Guob GE Chang-Huaa a 《结构化学》2006,25(5):626-630
1 INTRODUCTION Recently, compounds containing pyrazole, imida- zole, triazole (including benzotriazole), pyridine, tetrazole and indole have attracted much interest because of their fungicidal activity, plant-growth regulating activity and antibacterial activity[1~3]. Schiff bases also constitute a good type of biolo- gically active substructures[4~7]. Studies of pyri- dine Schiff base-type fungicides have been repor- ted[8]. However, some structures of pyridine com- pounds containing h… 相似文献
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YANG Jian-Guoa PAN Fu-Youb② SHAO Hongb a 《结构化学》2005,24(11):1286-1289
1 INTRODUCTION Azole derivatives, such as the derivatives of pyra- zole, imidazole, triazole including benzotriazole, te- trazole and indole, have extensive biological activi- ties. They have become the central focus of studies of agricultural chemicals, medicines, plant growth regulating agents and so on[1, 2]. Schiff bases also constitute a good type of biologically active sub- structures. Studies on pyrazole Schiff base-type fun- gicides have been reported[3, 4]. However, some struc- … 相似文献
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YANG Jian-Guoa PAN Fu-Youb② a 《结构化学》2005,24(12):1403-1407
1 INTRODUCTION 2. 1 Physical measurements Azole derivatives, such as pyrazole, imidazole, All solvent and chemicals were commercial rea- triazole(including benzotriazole), tetrazole and indole, gents and used without further purification. Ele- have extensive biological activities. They have be- mental analyses were performed on a PE 1700 CHN come the central focus of studies for agricultural che- auto elemental analyzer. IR spectra were recorded on micals, medicines, plant growth regul… 相似文献