1-[[1-[(4-Methoxyphenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole | 1174761-03-5

• 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: 1-[[1-[(4-Methoxyphenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole
• CAS: 1174761-03-5
• 化学式: C₄₅H₄₀N₈O₂
• 分子量: 724.865
• InChiKey: GOUSRKAADWVYQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  55
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  89.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,3'-(phenylmethylene)bis(1-prop-2-yn-1-yl-1H-indole) 、 4-甲氧基溴苄 在 copper(l) iodide 、 sodium azide 作用下， 以 polyethylene glycol-400 为溶剂， 反应 24.0h， 以27%的产率得到1-[[1-[(4-Methoxyphenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole
  参考文献：
  名称：

  Regioselective synthesis and biological evaluation of bis(indolyl)methane derivatized 1,4-disubstituted 1,2,3-bistriazoles as anti-infective agents

  摘要：

  The regioselective synthesis of 1,4-disubstituted 1,2,3-bistriazoles from a variety of N-propargyl bis(indolyl)methanes with sodium azide using CuI as the catalyst in polyethyleneglycol-400 is reported. This process is of considerable synthetic advantages in terms of high atom economy, low environmental impact, mild reaction condition and good yields. The synthesized compounds have also been screened for their biological activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.131