12,12-Dimethyl-7-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-12-silatricyclo[13.4.0.04,9]nonadeca-1(19),4(9),5,7,15,17-hexaen-2,10,13-triyne | 1168153-42-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 12,12-Dimethyl-7-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-12-silatricyclo[13.4.0.04,9]nonadeca-1(19),4(9),5,7,15,17-hexaen-2,10,13-triyne
• 英文别名: 12,12-dimethyl-7-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-12-silatricyclo[13.4.0.04,9]nonadeca-1(19),4(9),5,7,15,17-hexaen-2,10,13-triyne
• CAS: 1168153-42-1
• 化学式: C₃₆H₂₂Si
• 分子量: 482.656
• InChiKey: CTGVKFOJVZUBEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.39
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2-Ethynyl-1-[2-(2-ethynylphenyl)ethynyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene 、 二氯二甲基硅烷 在 甲基溴化镁 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 13.0h， 以50%的产率得到12,12-Dimethyl-7-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-12-silatricyclo[13.4.0.04,9]nonadeca-1(19),4(9),5,7,15,17-hexaen-2,10,13-triyne
  参考文献：
  名称：

  Synthesis and spectroscopic study of silacyclyne-substituted phenyleneethynylenes

  摘要：

  A series of 1,1-dimethyl-4,5:8,9-dibenzo-1-silacycloundeca-4,8-diene-2,6,10-triyne (DST)-substituted phenyleneethynylenes were successfully synthesized by reaction of Me2SiCl2 with dimagnesium dianions which had been prepared from 2,2'-diethynyl(diphenylethyne) derivatives by treatment with 2 equiv of MeMgBr. All the products were white-to-pale yellow powder stable enough to handle in the air, and their photoluminescence spectra were recorded both in solution and in solid state. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.163

文献信息

• Synthesis and spectroscopic study of silacyclyne-substituted phenyleneethynylenes
  作者：Guoliang Mao、Akihiro Orita、Daisuke Matsuo、Takayoshi Hirate、Tetsuo Iwanaga、Shinji Toyota、Junzo Otera

  DOI：10.1016/j.tetlet.2009.03.163

  日期：2009.6

  A series of 1,1-dimethyl-4,5:8,9-dibenzo-1-silacycloundeca-4,8-diene-2,6,10-triyne (DST)-substituted phenyleneethynylenes were successfully synthesized by reaction of Me2SiCl2 with dimagnesium dianions which had been prepared from 2,2'-diethynyl(diphenylethyne) derivatives by treatment with 2 equiv of MeMgBr. All the products were white-to-pale yellow powder stable enough to handle in the air, and their photoluminescence spectra were recorded both in solution and in solid state. (C) 2009 Elsevier Ltd. All rights reserved.