13,26,39-Trimethyl-7,9,20,22,33,35-hexaoxa-13,26,39-triazadecacyclo[27.10.0.03,14.04,12.06,10.016,27.017,25.019,23.030,38.032,36]nonatriaconta-1(29),3(14),4,6(10),11,16(27),17,19(23),24,30,32(36),37-dodecaene | 1185057-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 13,26,39-Trimethyl-7,9,20,22,33,35-hexaoxa-13,26,39-triazadecacyclo[27.10.0.03,14.04,12.06,10.016,27.017,25.019,23.030,38.032,36]nonatriaconta-1(29),3(14),4,6(10),11,16(27),17,19(23),24,30,32(36),37-dodecaene
• 英文别名: 13,26,39-trimethyl-7,9,20,22,33,35-hexaoxa-13,26,39-triazadecacyclo[27.10.0.03,14.04,12.06,10.016,27.017,25.019,23.030,38.032,36]nonatriaconta-1(29),3(14),4,6(10),11,16(27),17,19(23),24,30,32(36),37-dodecaene
• CAS: 1185057-21-9
• 化学式: C₃₃H₂₇N₃O₆
• 分子量: 561.594
• InChiKey: HGTHVPUEIMKERV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-methyl-5H-[1,3]dioxolo[4,5-f]indole 在 sodium tetrahydroborate 、 对甲苯磺酸一水合物 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 13,26,39-Trimethyl-7,9,20,22,33,35-hexaoxa-13,26,39-triazadecacyclo[27.10.0.03,14.04,12.06,10.016,27.017,25.019,23.030,38.032,36]nonatriaconta-1(29),3(14),4,6(10),11,16(27),17,19(23),24,30,32(36),37-dodecaene
  参考文献：
  名称：

  Synthesis of indolocyclotriveratrylenes

  摘要：

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.092

文献信息

• Synthesis of indolocyclotriveratrylenes
  作者：Mardi Santoso、Kittiya Somphol、Naresh Kumar、David StC. Black

  DOI：10.1016/j.tet.2009.05.092

  日期：2009.8

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.