1-(1-萘基)-3-甲基-环戊二烯 | 1026682-25-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-(1-萘基)-3-甲基-环戊二烯
• 英文名称: 1-(1-naphthyl)-3-methyl-cyclopentadiene
• 英文别名: 1-(4-Methylcyclopenta-1,4-dien-1-yl)naphthalene
• CAS: 1026682-25-6
• 化学式: C₁₆H₁₄
• 分子量: 206.287
• InChiKey: BMKYLLZBQLWYGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  1-(1-萘基)-3-甲基-环戊二烯 、 丙酮 在 四氢吡咯 作用下， 反应 14.0h， 以90%的产率得到1-(3-Isopropylidene-4-methyl-cyclopenta-1,4-dienyl)-naphthalene
  参考文献：
  名称：

  ansa-Metallocene derivatives

  摘要：

  Titanocene and zirconocene complexes with a phenyl or 1-naphthyl substituent in one beta-position of each C5-ring ligand and with an interannular tetramethylethano- or dimethylsilano-bridge have been prepared. Racemic complex isomers, which are formed together with varying amounts of their meso isomers, were separated from the latter and characterised by H-1 NMR spectroscopy and X-ray crystallographic studies.

  DOI：

  10.1016/0022-328x(91)80157-f
• 作为产物：
  描述：

  3-甲基-2-环戊烯-1-酮 在 四甲基乙二胺 、 对甲苯磺酸 作用下， 以 乙醚 为溶剂， 生成 1-(1-萘基)-3-甲基-环戊二烯
  参考文献：
  名称：

  ansa-Metallocene derivatives

  摘要：

  Titanocene and zirconocene complexes with a phenyl or 1-naphthyl substituent in one beta-position of each C5-ring ligand and with an interannular tetramethylethano- or dimethylsilano-bridge have been prepared. Racemic complex isomers, which are formed together with varying amounts of their meso isomers, were separated from the latter and characterised by H-1 NMR spectroscopy and X-ray crystallographic studies.

  DOI：

  10.1016/0022-328x(91)80157-f

文献信息

• ansa-Metallocene derivatives
  作者：Peter Burger、Kai Hortmann、Josef Diebold、Hans-Herbert Brintzinger

  DOI：10.1016/0022-328x(91)80157-f

  日期：1991.10

  Titanocene and zirconocene complexes with a phenyl or 1-naphthyl substituent in one beta-position of each C5-ring ligand and with an interannular tetramethylethano- or dimethylsilano-bridge have been prepared. Racemic complex isomers, which are formed together with varying amounts of their meso isomers, were separated from the latter and characterised by H-1 NMR spectroscopy and X-ray crystallographic studies.