4-[4-[6-[4-(4-Formylnaphthalen-1-yl)naphthalen-1-yl]hexyl]naphthalen-1-yl]naphthalene-1-carbaldehyde | 247211-45-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[4-[6-[4-(4-Formylnaphthalen-1-yl)naphthalen-1-yl]hexyl]naphthalen-1-yl]naphthalene-1-carbaldehyde
• 英文别名: 4-[4-[6-[4-(4-formylnaphthalen-1-yl)naphthalen-1-yl]hexyl]naphthalen-1-yl]naphthalene-1-carbaldehyde
• CAS: 247211-45-6
• 化学式: C₄₈H₃₈O₂
• 分子量: 646.829
• InChiKey: CAZISBKDIVVBHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  50
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[4-[6-[4-(4-Formylnaphthalen-1-yl)naphthalen-1-yl]hexyl]naphthalen-1-yl]naphthalene-1-carbaldehyde 在 正丁基锂 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成 Decacyclo[34.6.2.22,9.214,21.222,29.03,8.010,13.015,20.023,28.037,42]pentaconta-1(43),2(50),3,5,7,9(49),14(48),15,17,19,21(47),22(46),23,25,27,29(45),36(44),37,39,41-icosaene
  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-Bromo-4-[6-(4-bromonaphthalen-1-yl)hexyl]naphthalene 在 bis(triphenylphosphine)nickel(II) chloride 四氯化锡 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4-[4-[6-[4-(4-Formylnaphthalen-1-yl)naphthalen-1-yl]hexyl]naphthalen-1-yl]naphthalene-1-carbaldehyde
  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.