[2-[[3-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2-[[7-(hydroxymethyl)-4,6-dimethoxy-3-methyl-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-3-methyl-1H-indol-7-yl]methanol | 1453486-23-1

• 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: [2-[[3-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2-[[7-(hydroxymethyl)-4,6-dimethoxy-3-methyl-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-3-methyl-1H-indol-7-yl]methanol
• CAS: 1453486-23-1
• 化学式: C₅₈H₅₆Cl₂N₄O₁₀
• 分子量: 1040.01
• InChiKey: KTWTXKRIBUAXIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  74
• 可旋转键数：
  17
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  178
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [2-[[3-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2-[[7-(hydroxymethyl)-4,6-dimethoxy-3-methyl-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-3-methyl-1H-indol-7-yl]methanol 在 三氟乙酸 作用下， 以 二甲基亚砜 为溶剂， 反应 0.17h， 以40%的产率得到36,39-Bis(4-chlorophenyl)-3,5,15,17,21,23,30,32-octamethoxy-37,38-dimethyl-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
• 作为产物：
  描述：

  2,2'-((3,3'-bis(4-chlorophenyl)-4,4',6,6'-tetramethoxy-1H,1'H-[2,7'-biindole]-2',7-diyl)bis(methylene))bis(4,6-dimethoxy-3-methyl-1H-indole-7-carbaldehyde) 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 以72%的产率得到[2-[[3-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2-[[7-(hydroxymethyl)-4,6-dimethoxy-3-methyl-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-3-methyl-1H-indol-7-yl]methanol
  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