1-Naphthalen-1-yl-4-[7-(4-naphthalen-1-ylnaphthalen-1-yl)heptyl]naphthalene | 247211-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Naphthalen-1-yl-4-[7-(4-naphthalen-1-ylnaphthalen-1-yl)heptyl]naphthalene
• 英文别名: 1-naphthalen-1-yl-4-[7-(4-naphthalen-1-ylnaphthalen-1-yl)heptyl]naphthalene
• CAS: 247211-43-4
• 化学式: C₄₇H₄₀
• 分子量: 604.835
• InChiKey: HEHNYIDBHWHQIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  47
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.15
• 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-Naphthalen-1-yl-4-[7-(4-naphthalen-1-ylnaphthalen-1-yl)heptyl]naphthalene 在 正丁基锂 、 四氯化锡 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-Ethenyl-4-[4-[7-[4-(4-ethenylnaphthalen-1-yl)naphthalen-1-yl]heptyl]naphthalen-1-yl]naphthalene
  参考文献：
  名称：

  Synthesis and structure of novel [2.n](4,4′)binaphthylophanes: a new family in cyclophane chemistry

  摘要：

  [2.n](4,4')Binaphthylophanes (n=6 and 7) were first synthesized as cyclophanes possessing binaphthyl nuclei and composed of carbon and hydrogen atoms alone. Their structure in crystal and behavior in solution were analyzed by X-ray crystallography and NMR spectroscopy, respectively. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01232-0
• 作为产物：
  描述：

  1-萘基溴化镁, 0.5M IN METHF 、 1-Bromo-4-[7-(4-bromonaphthalen-1-yl)heptyl]naphthalene 在 bis(triphenylphosphine)nickel(II) chloride 作用下， 以 四氢呋喃 为溶剂， 以45%的产率得到1-Naphthalen-1-yl-4-[7-(4-naphthalen-1-ylnaphthalen-1-yl)heptyl]naphthalene
  参考文献：
  名称：

  Synthesis and structure of novel [2.n](4,4′)binaphthylophanes: a new family in cyclophane chemistry

  摘要：

  [2.n](4,4')Binaphthylophanes (n=6 and 7) were first synthesized as cyclophanes possessing binaphthyl nuclei and composed of carbon and hydrogen atoms alone. Their structure in crystal and behavior in solution were analyzed by X-ray crystallography and NMR spectroscopy, respectively. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01232-0

文献信息

• Synthesis and structure of novel [2.n](4,4′)binaphthylophanes: a new family in cyclophane chemistry
  作者：Yoshitou Hayashida、Yosuke Nakamura、Yasushi Chida、Jun Nishimura

  DOI：10.1016/s0040-4039(99)01232-0

  日期：1999.8

  [2.n](4,4')Binaphthylophanes (n=6 and 7) were first synthesized as cyclophanes possessing binaphthyl nuclei and composed of carbon and hydrogen atoms alone. Their structure in crystal and behavior in solution were analyzed by X-ray crystallography and NMR spectroscopy, respectively. (C) 1999 Elsevier Science Ltd. All rights reserved.