Dimethyl 3,3,5,5,8,8,10,10-octamethyl-4,9-dioxa-3,5,8,10-tetrasilatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),7(11),12,14-pentaene-14,15-dicarboxylate | 887503-87-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Dimethyl 3,3,5,5,8,8,10,10-octamethyl-4,9-dioxa-3,5,8,10-tetrasilatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),7(11),12,14-pentaene-14,15-dicarboxylate
• CAS: 887503-87-9
• 化学式: C₂₂H₃₂O₆Si₄
• 分子量: 504.834
• InChiKey: YZQNRJXZKJDPLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Dimethyl 3,3,5,5,8,8,10,10-octamethyl-4,9-dioxa-3,5,8,10-tetrasilatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),7(11),12,14-pentaene-14,15-dicarboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  Oxadisilole fused pentacenequinones and heptacenequinones

  摘要：

  Stable, organic solvent soluble bis- and tetrakis-oxadisilole fused pentacenequinones (5a - b) and heptacenequinones (11a - b) were synthesized. Double Diels - Alder and fourfold aldol-condensation approaches were used. Absorption, emission and fluorescence quantum yield of the previously unknown acenequinones 5a and 11a were characterized. The role of the oxadisilole substituent on the photophysical properties was addressed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.164
• 作为产物：
  描述：

  3,3,5,5,8,8,10,10-Octamethyl-4,9,14-trioxa-3,5,8,10-tetrasilatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),7(11),12-tetraene 在 lithium aluminium tetrahydride 、 四氯化钛 、 三乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 14.0h， 生成 Dimethyl 3,3,5,5,8,8,10,10-octamethyl-4,9-dioxa-3,5,8,10-tetrasilatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),7(11),12,14-pentaene-14,15-dicarboxylate
  参考文献：
  名称：

  Oxadisilole-Fused Isobenzofurans. Synthesis and Characterization of Oxadisilole-Substituted Acenes

  摘要：

  Mono- and bis-oxadisilole-fused isobenzofurans were first synthesized and isolated. A series of mono-, bis-, and tris-oxadisilole-substituted acenes were then synthesized by benzyne Diels-Alder reactions with the isobenzofurans. The photophysical, redox, and thermal properties of these new acenes were characterized.

  DOI：

  10.1021/jo060099d