3,3,6,6-四甲基-9-(3,4-亚甲二氧基苯基)-1,8-二氧代-2,3,4,5,6,7-六氢夹氧蒽的合成和晶体结构  

Synthesis and Crystal Structure of 3,3,6,6-Tetramethyl-9-(3,4- methylenedioxylphenyl)-1,8-dioxo-2,3,4,5,6,7-hexahydroxanthene

作　　者：屠树江[1,2] 缪春宝[1,2] 房芳[1,2] 蒋虹[1,2] 

机构地区：[1]徐州师范大学化学系 [2]江苏省药用植物生物技术重点实验室,江苏徐州221009

出　　处：《Chinese Journal of Structural Chemistry》2004年第2期187-191,共5页结构化学（英文）

基　　金：国家自然科学基金(No. 20372057);江苏省自然科学基金(No.BK2001142);江苏省教育厅自然科学基金(No. 01KJB150008) ;江苏省化学工程与技术重点实验室开放基金(KJS02060) 资助项目。

摘　　要：标题化合物C24H26O5是由胡椒醛、达咪酮在微波辐射下反应而得,反应在5分钟内完成。结构通过单晶 X-射线衍射法测定,其晶体属三斜晶系,空间群P, a = 7.1338(1), b = 10.4406 (3), c = 14.3323(4) , a = 82.56(1), b = 89.37(1), g = 78.94(1), V = 1038.73(4) 3, Mr = 394.45, Z = 2, Dc = 1.261 g/cm3, l = 0.71073 ? m(MoKa) = 0.088 mm-1, F(000) = 420, R = 0.0648, wR = 0.1588。在分子结构中吡喃环为船式构象,2个的环己酮环为信封式结构。The crystal structure of the title compound (C24H26O5) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P?with a = 7.1338(1), b = 10.4406(3), c = 14.3323(4) , a = 82.56(1), b = 89.37(1), g = 78.940(2), V = 1038.73(4) 3, Mr = 394.45, Z = 2, Dc = 1.261g/cm3, l = 0.71073 , m(MoKa) = 0.088 mm-1 and F(000) = 420. The structure was refined to R = 0.0648 and wR = 0.1588 for 2909 observed reflections with I > 2s(I). X-ray analysis reveals that the pyran ring adopts a boat conformation, while two cyclohexanone rings have an envelope conformation.

关 键 词：3 3 6 6—四甲基—9—(3 4—亚甲二氧基苯基)—1 8—二氧代—2 3 4 5 6 7—六氢夹氧蒽 合成 晶体结构 钾通道开放剂 抗高血压药物 微波辐射 

分 类 号：O625[理学—有机化学]