bis(3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne)germane | 224585-75-5

• 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: bis(3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne)germane
• 英文别名: 12,12'-spirobi[12-germatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaen-2,10,13-triyne]
• CAS: 224585-75-5
• 化学式: C₃₆H₁₆Ge
• 分子量: 521.113
• InChiKey: GOXVWJUUKKPWAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.23
• 重原子数：
  37.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  dicobalt octacarbonyl 、 bis(3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne)germane 以 正己烷 为溶剂， 以80%的产率得到bis(3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne)germane(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
• 作为产物：
  描述：

  双(2-乙炔基苯基)乙炔 、 四氯化锗 在 n-butyllithium 作用下， 以 四氢呋喃 为溶剂， 以46%的产率得到bis(3,4:7,8-dibenzocyclo-3,7-diene-1,5,9-triyne)germane
  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