Trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane | 226704-57-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane
• CAS: 226704-57-0
• 化学式: C₄₈H₈₈Si₁₀
• 分子量: 946.082
• InChiKey: YBXSZWAEYUYWDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.58
• 重原子数：
  58
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane 、 iron pentacarbonyl 以 苯 为溶剂， 以54%的产率得到
  参考文献：
  名称：

  Polymeric Organosilicon Systems. 30. Preparation and Properties of Polymers Containing Iron(0)-Complex-Coordinated Silole Units

  摘要：

  UV irradiation of poly[(tetraethyldisilanylene)(3,4-diethynylenesilole)] in the presence of an excess of Fe(CO)(5) led to the formation of Fe(CO)(3)-coordinated silole units in the polymer backbone. The ratio of the Fe(CO)(3)-coordinated and noncoordinated units in the resulting polymer was determined to be 2:1 by H-1 NMR spectrometry. Similar treatment of poly[(tetramethyldisilanylene)(3,4-diethynylenesilole)] also afforded the corresponding Fe(CO)(3)-coordinated polymer. The polymers with Fe(CO)(3)-coordinated silole units exhibit slightly red-shifted UV absorption bands, relative to the parent noncoordinated polymers. When doped with FeCl3 vapor, the Fe(CO)(3)-coordinated polymers became semiconducting with conductivities on the order of 10(-5) S/cm, much higher than the conductivities of the parent polymers doped with FeCl3, which were determined to be less than 10(-8) S/cm. Crystal structures of two model compounds having Fe(CO)(3)-coordinated or noncoordinated 3,4-diethynylenesilole units were determined by X-ray crystallography, which suggest enhanced pi-conjugation in the Fe(CO)(3)-coordinated 3,4-diethynylenesilole ring as compared with the noncoordinated one.

  DOI：

  10.1021/om9805943