57,60-dimethoxy-58,59-bis(methoxymethoxy)undecacyclo[47.7.1.12,10.121,29.130,38.03,8.013,18.023,28.031,36.041,46.051,56]hexaconta-1(57),2(60),3,5,7,9,13,15,17,21,23,25,27,29(59),30(58),31,33,35,37,41,43,45,49,51,53,55-hexacosaen-11,19,39,47-tetrayne | 653574-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 57,60-dimethoxy-58,59-bis(methoxymethoxy)undecacyclo[47.7.1.12,10.121,29.130,38.03,8.013,18.023,28.031,36.041,46.051,56]hexaconta-1(57),2(60),3,5,7,9,13,15,17,21,23,25,27,29(59),30(58),31,33,35,37,41,43,45,49,51,53,55-hexacosaen-11,19,39,47-tetrayne
• CAS: 653574-27-7
• 化学式: C₆₆H₄₄O₆
• 分子量: 933.072
• InChiKey: WIBQHUOEIUGPDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.1
• 重原子数：
  72
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  57,60-dimethoxy-58,59-bis(methoxymethoxy)undecacyclo[47.7.1.12,10.121,29.130,38.03,8.013,18.023,28.031,36.041,46.051,56]hexaconta-1(57),2(60),3,5,7,9,13,15,17,21,23,25,27,29(59),30(58),31,33,35,37,41,43,45,49,51,53,55-hexacosaen-11,19,39,47-tetrayne 在 盐酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 以89%的产率得到58,59-Dimethoxyundecacyclo[47.7.1.12,10.121,29.130,38.03,8.013,18.023,28.031,36.041,46.051,56]hexaconta-1(57),2(60),3,5,7,9,13,15,17,21,23,25,27,29(59),30(58),31,33,35,37,41,43,45,49,51,53,55-hexacosaen-11,19,39,47-tetrayne-57,60-diol
  参考文献：
  名称：

  Asymmetric synthesis of macrocyclic binaphthol dimers using a Sonogashira coupling reaction

  摘要：

  Asymmetric synthesis of 24- and 26-membered macrocyclic binaphthol dimers was achieved by assembling a 3,3'-diethynyl-1,1'-bi-2-naphthoI unit and 1,2- and 1,3-phenylene units with Sonogashira coupling reaction. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.09.038
• 作为产物：
  描述：

  (R)-2,2'-bis(2,2-dichloro-1,1-difluoroethoxy)-1,1'-binaphthyl 在 四(三苯基膦)钯 copper(l) iodide 、 正丁基锂 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 苯 为溶剂， 反应 44.0h， 生成 57,60-dimethoxy-58,59-bis(methoxymethoxy)undecacyclo[47.7.1.12,10.121,29.130,38.03,8.013,18.023,28.031,36.041,46.051,56]hexaconta-1(57),2(60),3,5,7,9,13,15,17,21,23,25,27,29(59),30(58),31,33,35,37,41,43,45,49,51,53,55-hexacosaen-11,19,39,47-tetrayne
  参考文献：
  名称：

  Asymmetric synthesis of macrocyclic binaphthol dimers using a Sonogashira coupling reaction

  摘要：

  Asymmetric synthesis of 24- and 26-membered macrocyclic binaphthol dimers was achieved by assembling a 3,3'-diethynyl-1,1'-bi-2-naphthoI unit and 1,2- and 1,3-phenylene units with Sonogashira coupling reaction. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.09.038