Methyl 4-(5,7-difluoro-1-methoxycarbonylphenanthren-4-yl)oxy-5,7-difluorophenanthrene-1-carboxylate | 1048386-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: Methyl 4-(5,7-difluoro-1-methoxycarbonylphenanthren-4-yl)oxy-5,7-difluorophenanthrene-1-carboxylate
• 英文别名: methyl 4-(5,7-difluoro-1-methoxycarbonylphenanthren-4-yl)oxy-5,7-difluorophenanthrene-1-carboxylate
• CAS: 1048386-53-3
• 化学式: C₃₂H₁₈F₄O₅
• 分子量: 558.486
• InChiKey: NQHKITXLSKXLPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Methyl 4-(5,7-difluoro-1-methoxycarbonylphenanthren-4-yl)oxy-5,7-difluorophenanthrene-1-carboxylate 、 苯甲醇 在 titanium(IV) isopropylate 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以46%的产率得到
  参考文献：
  名称：

  Synthesis and characteristic stereostructure of a biphenanthryl ether

  摘要：

  A biphenanthryl ether with substituents in the bay regions was efficiently synthesized for the first time. The unique stereostructure of 1 was clarified. Its twisted conformation and optical behavior as well as its characteristic supramolecular helical structure, which is constructed through a C-H center dot center dot center dot F hydrogen bonding network in the solid state, are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.05.001
• 作为产物：
  描述：

  在 碘 作用下， 以 环己烷 为溶剂， 以72%的产率得到Methyl 4-(5,7-difluoro-1-methoxycarbonylphenanthren-4-yl)oxy-5,7-difluorophenanthrene-1-carboxylate
  参考文献：
  名称：

  Synthesis and characteristic stereostructure of a biphenanthryl ether

  摘要：

  A biphenanthryl ether with substituents in the bay regions was efficiently synthesized for the first time. The unique stereostructure of 1 was clarified. Its twisted conformation and optical behavior as well as its characteristic supramolecular helical structure, which is constructed through a C-H center dot center dot center dot F hydrogen bonding network in the solid state, are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.05.001

文献信息

• Synthesis and characteristic stereostructure of a biphenanthryl ether
  作者：Yasuaki Koizumi、Shinya Suzuki、Kyo Takeda、Ken Murahashi、Manabu Horikawa、Kosuke Katagiri、Hyuma Masu、Takako Kato、Isao Azumaya、Satoshi Fujii、Takumi Furuta、Kiyoshi Tanaka、Toshiyuki Kan

  DOI：10.1016/j.tetasy.2008.05.001

  日期：2008.6

  A biphenanthryl ether with substituents in the bay regions was efficiently synthesized for the first time. The unique stereostructure of 1 was clarified. Its twisted conformation and optical behavior as well as its characteristic supramolecular helical structure, which is constructed through a C-H center dot center dot center dot F hydrogen bonding network in the solid state, are discussed. (C) 2008 Elsevier Ltd. All rights reserved.