2-(4-chlorophenyl)-4,27-dimethyl-6,8,23,25-tetramethoxy-11,20-diazahexacyclo[18,7,0,0(3,11),0(5,10),0(13,18),0(21,26)]heptacosa-1(27),3,5,7,9,13,15,17,21,23,25-undecaene | 1359077-35-2

• 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: 2-(4-chlorophenyl)-4,27-dimethyl-6,8,23,25-tetramethoxy-11,20-diazahexacyclo[18,7,0,0(3,11),0(5,10),0(13,18),0(21,26)]heptacosa-1(27),3,5,7,9,13,15,17,21,23,25-undecaene
• 英文别名: 2-(4-Chlorophenyl)-6,8,23,25-tetramethoxy-4,27-dimethyl-11,20-diazahexacyclo[18.7.0.03,11.05,10.013,18.021,26]heptacosa-1(27),3,5(10),6,8,13,15,17,21(26),22,24-undecaene；2-(4-chlorophenyl)-6,8,23,25-tetramethoxy-4,27-dimethyl-11,20-diazahexacyclo[18.7.0.03,11.05,10.013,18.021,26]heptacosa-1(27),3,5(10),6,8,13,15,17,21(26),22,24-undecaene
• CAS: 1359077-35-2
• 化学式: C₃₇H₃₅ClN₂O₄
• 分子量: 607.149
• InChiKey: BCADKBAOQQBWIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-chlorophenyl)-4,27-dimethyl-6,8,23,25-tetramethoxy-11,20-diazahexacyclo[18,7,0,0(3,11),0(5,10),0(13,18),0(21,26)]heptacosa-1(27),3,5,7,9,13,15,17,21,23,25-undecaene 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 反应 1.0h， 以92%的产率得到2-(4-chlorophenyl)-9,22-diformyl-4,27-dimethyl-6,8,23,25-tetramethoxy-11,20-diazahexacyclo[18,7,0,0(3,11),0(5,10),0(13,18),0(21,26)]heptacosa-1(27),3,5,7,9,13,15,17,21,23,25-undecaene
  参考文献：
  名称：

  Synthesis of mixed cyclotriveratrylenes

  摘要：

  Cyclotriveratrylenes containing one benzene ring and two indole rings linked through N1 and C2 can be prepared by acid-catalysed reactions of formaldehyde and aryl aldehydes with 1,2-di-(1-indolylmethyl) benzene compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.12.080
• 作为产物：
  描述：

  4,6-二甲氧基-3-甲基吲哚 在 potassium hydroxide 、 三氯氧磷 作用下， 以 氯仿 、 二甲基亚砜 为溶剂， 反应 8.0h， 生成 2-(4-chlorophenyl)-4,27-dimethyl-6,8,23,25-tetramethoxy-11,20-diazahexacyclo[18,7,0,0(3,11),0(5,10),0(13,18),0(21,26)]heptacosa-1(27),3,5,7,9,13,15,17,21,23,25-undecaene
  参考文献：
  名称：

  Synthesis of mixed cyclotriveratrylenes

  摘要：

  Cyclotriveratrylenes containing one benzene ring and two indole rings linked through N1 and C2 can be prepared by acid-catalysed reactions of formaldehyde and aryl aldehydes with 1,2-di-(1-indolylmethyl) benzene compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.12.080

文献信息

• Synthesis of mixed cyclotriveratrylenes
  作者：Kittiya Somphol、Mardi Santoso、Mohan Bhadbhade、Christopher Gardner、Naresh Kumar、David StC. Black

  DOI：10.1016/j.tet.2011.12.080

  日期：2012.2

  Cyclotriveratrylenes containing one benzene ring and two indole rings linked through N1 and C2 can be prepared by acid-catalysed reactions of formaldehyde and aryl aldehydes with 1,2-di-(1-indolylmethyl) benzene compounds. (C) 2012 Elsevier Ltd. All rights reserved.