3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne-diphenylsilane | 162463-20-9

• 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: 3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne-diphenylsilane
• 英文别名: 12,12-Diphenyl-12-silatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaen-2,10,13-triyne
• CAS: 162463-20-9
• 化学式: C₃₀H₁₈Si
• 分子量: 406.558
• InChiKey: CDBBXOKXCUGUKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  dicobalt octacarbonyl 、 3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne-diphenylsilane 以 乙醚 、 正己烷 为溶剂， 以99%的产率得到3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne-diphenylsilane(Co2(CO)6)2
  参考文献：
  名称：

  Cobalt Complexes of Silicon and Germanium Heterocyclotriynes with One or Two Cyclyne Rings

  摘要：

  The synthesis and structural characterization of Ge(OBET)(2), SiPh2(OBET)(Co-2(CO)(6))(2), and Ge(OBET)(2)(Co-2(CO)(6))(2) are reported. Reaction of Li-2(OBET), generated in situ from the reaction of nBuLi and o-(bisethynyl)tolane (OBET)H-2, with GeCl4 in a 2:1 molar ratio gave Ge(OBET)(2) in 64% yield. Ge(OBET)(2) was characterized by H-1 NMR, C-13 NMR, elemental analysis, FDMS, and X-ray crystallography. Co-2(CO)(8) selectively complexes to the bent alkynes adjacent to Ge or Si of Ge(OBET)(2) and SiPh2(OBET) and severely distorts the ligands. Comparisons are made to related complexes.

  DOI：

  10.1021/om9901675

文献信息

• Planar Silicon and Germanium Heterocyclotriynes and Their Isomorphous Nickel(0) Complexes
  作者：Li Guo、John D. Bradshaw、David B. McConville、Claire A. Tessier、Wiley J. Youngs

  DOI：10.1021/om960868r

  日期：1997.4.1

  The syntheses of three strained silicon or germanium heterocyclotriynes, from the dilithium dianion of 2,2'-diethynyltolane (Li-2(OBET)) and the dialkyldichlorosilanes or dialkyldichlorogermane, are described. Reactions of the heterocyclynes with Ni(COD)2 give the nickel(0) complexes in very high yield. The heterocyclynes and their nickel complexes have been characterized by a variety of spectral techniques, and the X-ray crystal structures of compounds Si(i-Pr)(2)(oBET), Ni[Si(i-Pr)(2)(OBET)], SiPh2(OBET), Ni[SiPh2(OBET)], GePh2-(OBET), and Ni[GePh2(OBET)] are reported. The heterocyclynes and their nickel complexes possess isomorphous structures.
• A Planar Skeleton Heterocyclyne, 1,1-Diphenyl-4,5:8,9-dibenzo-1-silacycloundeca-4,8-diene-2,6,10-triyne, and Its Nickel(0) Complex
  作者：Li Guo、John D. Bradshaw、Claire A. Tessier、Wiley J. Youngs

  DOI：10.1021/om00002a003

  日期：1995.2

  A silicon-containing heterocyclyne (2) has been synthesized and characterized. Reaction of Ni(COD)(2) with 2 affords a planar complex (3) in very high yield. The X-ray crystal structure shows that Ni(0) resides in the pocket of 2 and coordinates with unusual ''trans'' geometry alkynes.