36,37,38,39-Tetrakis(4-chlorophenyl)-3,5,15,17,21,23,30,32-octamethoxy-8,12,26,35-tetrazanonacyclo[31.2.1.16,9.111,14.124,27.02,7.013,18.020,25.029,34]nonatriaconta-1(36),2,4,6,9(39),11(38),13(18),14,16,20(25),21,23,27(37),29(34),30,32-hexadecaene | 1453486-25-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 36,37,38,39-Tetrakis(4-chlorophenyl)-3,5,15,17,21,23,30,32-octamethoxy-8,12,26,35-tetrazanonacyclo[31.2.1.16,9.111,14.124,27.02,7.013,18.020,25.029,34]nonatriaconta-1(36),2,4,6,9(39),11(38),13(18),14,16,20(25),21,23,27(37),29(34),30,32-hexadecaene
• 英文别名: 36,37,38,39-tetrakis(4-chlorophenyl)-3,5,15,17,21,23,30,32-octamethoxy-8,12,26,35-tetrazanonacyclo[31.2.1.16,9.111,14.124,27.02,7.013,18.020,25.029,34]nonatriaconta-1(36),2,4,6,9(39),11(38),13(18),14,16,20(25),21,23,27(37),29(34),30,32-hexadecaene
• CAS: 1453486-25-3
• 化学式: C₆₇H₅₄Cl₄N₄O₈
• 分子量: 1185.0
• InChiKey: BDPMAJFGCNZIPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.8
• 重原子数：
  83
• 可旋转键数：
  12
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [3-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2-(hydroxymethyl)-4,6-dimethoxy-1H-indol-7-yl]-4,6-dimethoxy-1H-indol-7-yl]methanol 在 sodium tetrahydroborate 、 对甲苯磺酸 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 、 二甲基亚砜 、 异丙醇 为溶剂， 反应 40.17h， 生成 36,37,38,39-Tetrakis(4-chlorophenyl)-3,5,15,17,21,23,30,32-octamethoxy-8,12,26,35-tetrazanonacyclo[31.2.1.16,9.111,14.124,27.02,7.013,18.020,25.029,34]nonatriaconta-1(36),2,4,6,9(39),11(38),13(18),14,16,20(25),21,23,27(37),29(34),30,32-hexadecaene
  参考文献：
  名称：

  Synthesis of Semi-Calix[4]indoles Containing Combinations of Direct Links and Methylene Linkages

  摘要：

  Macrocyclic compounds containing four 3-substituted-4,6-dimethoxyindole units joined through the C2 and C7 positions, by a combination of direct links or methylene bridges, can be prepared by acid-catalyzed reactions of indole methanols and 2,7'-biindolyldimethanols with indoles and 2,7'-biindolyls.

  DOI：

  10.1055/s-0033-1338868

文献信息

• Synthesis of Semi-Calix[4]indoles Containing Combinations of Direct Links and Methylene Linkages
  作者：David Black、Rui Chen、Kittiya Somphol、Mohan Bhadbhade、Naresh Kumar

  DOI：10.1055/s-0033-1338868

  日期：——

  Macrocyclic compounds containing four 3-substituted-4,6-dimethoxyindole units joined through the C2 and C7 positions, by a combination of direct links or methylene bridges, can be prepared by acid-catalyzed reactions of indole methanols and 2,7'-biindolyldimethanols with indoles and 2,7'-biindolyls.