(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-2-naphthylsilane | 1187583-37-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-2-naphthylsilane
• CAS: 1187583-37-4
• 化学式: C₃₈H₅₄Si
• 分子量: 538.932
• InChiKey: YEVMJJDQNARDBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.0
• 重原子数：
  39.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  (1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-2-naphthylsilane 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 苯 为溶剂， 以89%的产率得到dibromo(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-2-naphthylsilane
  参考文献：
  名称：

  π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups

  摘要：

  pi-Conjugated phosphasilenes with a variety of aryl substituents on the silicon atom have been synthesized by the use of a 1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl (Eind) group. X-ray structural analysis shows the highly coplanar pi-framework stabilized by the perpendicularly fixed Eind groups. The strong pi-pi* absorptions have been observed, demonstrating the extension of pi-conjugation over the skeleton. The DFT calculations indicate that the LUMO involves the substantial contribution of the 3p pi*(Si- P)-2p(pi)*(carbon pi-electron system) conjugation. The electrochemical properties of the phosphasilens are also presented.

  DOI：

  10.1021/ja9051153
• 作为产物：
  描述：

  (1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)silane 、 2-溴萘 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以72%的产率得到(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-2-naphthylsilane
  参考文献：
  名称：

  π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups

  摘要：

  pi-Conjugated phosphasilenes with a variety of aryl substituents on the silicon atom have been synthesized by the use of a 1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl (Eind) group. X-ray structural analysis shows the highly coplanar pi-framework stabilized by the perpendicularly fixed Eind groups. The strong pi-pi* absorptions have been observed, demonstrating the extension of pi-conjugation over the skeleton. The DFT calculations indicate that the LUMO involves the substantial contribution of the 3p pi*(Si- P)-2p(pi)*(carbon pi-electron system) conjugation. The electrochemical properties of the phosphasilens are also presented.

  DOI：

  10.1021/ja9051153