2-[2-[[81-[2-(2-Hydroxyethoxy)ethoxy]-3,6,9,23,26,29,32,35,49,52,55-undecaoxadodecacyclo[55.15.7.111,37.121,47.163,67.174,78.02,69.010,15.017,22.036,41.043,48.056,61]trioctaconta-1,10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67(81),69,71,74(80),75,77-tetracosaen-80-yl]oxy]ethoxy]ethanol | 537041-59-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[2-[[81-[2-(2-Hydroxyethoxy)ethoxy]-3,6,9,23,26,29,32,35,49,52,55-undecaoxadodecacyclo[55.15.7.111,37.121,47.163,67.174,78.02,69.010,15.017,22.036,41.043,48.056,61]trioctaconta-1,10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67(81),69,71,74(80),75,77-tetracosaen-80-yl]oxy]ethoxy]ethanol
• 英文别名: 2-[2-[[81-[2-(2-hydroxyethoxy)ethoxy]-3,6,9,23,26,29,32,35,49,52,55-undecaoxadodecacyclo[55.15.7.111,37.121,47.163,67.174,78.02,69.010,15.017,22.036,41.043,48.056,61]trioctaconta-1,10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67(81),69,71,74(80),75,77-tetracosaen-80-yl]oxy]ethoxy]ethanol
• CAS: 537041-59-1
• 化学式: C₈₀H₉₀O₁₇
• 分子量: 1323.58
• InChiKey: KEJFGQZZRQUZBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  97
• 可旋转键数：
  12
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  179
• 氢给体数：
  2
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  对甲苯磺酰氯 、 2-[2-[[81-[2-(2-Hydroxyethoxy)ethoxy]-3,6,9,23,26,29,32,35,49,52,55-undecaoxadodecacyclo[55.15.7.111,37.121,47.163,67.174,78.02,69.010,15.017,22.036,41.043,48.056,61]trioctaconta-1,10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67(81),69,71,74(80),75,77-tetracosaen-80-yl]oxy]ethoxy]ethanol 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到2-[2-[[81-[2-[2-(4-Methylphenyl)sulfonyloxyethoxy]ethoxy]-3,6,9,23,26,29,32,35,49,52,55-undecaoxadodecacyclo[55.15.7.111,37.121,47.163,67.174,78.02,69.010,15.017,22.036,41.043,48.056,61]trioctaconta-1,10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67(81),69,71,74(80),75,77-tetracosaen-80-yl]oxy]ethoxy]ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Modular chemistry. Double- and multi-1,3-alternate-calixcrowns

  摘要：

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02657-6
• 作为产物：
  描述：

  calix[4]arene-crown-5 在 sodium hydroxide 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 72.0h， 生成 2-[2-[[81-[2-(2-Hydroxyethoxy)ethoxy]-3,6,9,23,26,29,32,35,49,52,55-undecaoxadodecacyclo[55.15.7.111,37.121,47.163,67.174,78.02,69.010,15.017,22.036,41.043,48.056,61]trioctaconta-1,10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67(81),69,71,74(80),75,77-tetracosaen-80-yl]oxy]ethoxy]ethanol
  参考文献：
  名称：

  Modular chemistry. Double- and multi-1,3-alternate-calixcrowns

  摘要：

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02657-6

文献信息

• Modular chemistry. Double- and multi-1,3-alternate-calixcrowns
  作者：Sung Kuk Kim、Wonbo Sim、Jacques Vicens、Jong Seung Kim

  DOI：10.1016/s0040-4039(02)02657-6

  日期：2003.1

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.