1-allyl-3-(4-chlorophenyl)-4,6-dimethoxy-7-(1-nitropent-4-en-2-yl)-1H-indole | 1220960-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-allyl-3-(4-chlorophenyl)-4,6-dimethoxy-7-(1-nitropent-4-en-2-yl)-1H-indole
• 英文别名: 3-(4-Chlorophenyl)-4,6-dimethoxy-7-(1-nitropent-4-en-2-yl)-1-prop-2-enylindole；3-(4-chlorophenyl)-4,6-dimethoxy-7-(1-nitropent-4-en-2-yl)-1-prop-2-enylindole
• CAS: 1220960-57-5
• 化学式: C₂₄H₂₅ClN₂O₄
• 分子量: 440.927
• InChiKey: XIILKAFSJAHKQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  69.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-allyl-3-(4-chlorophenyl)-4,6-dimethoxy-7-(1-nitropent-4-en-2-yl)-1H-indole 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 甲苯 为溶剂， 生成 (11Z)-3-(4-chlorophenyl)-5,7-dimethoxy-9-(nitromethyl)-1-azatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7,11-pentaene
  参考文献：
  名称：

  Synthesis of novel 1,7-annulated 4,6-dimethoxyindoles

  摘要：

  A range of new 1,7-annulated indole derivatives has been prepared via a ring-closing metathesis approach starting from N-allyl-7-formyl indoles. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.01.076
• 作为产物：
  描述：

  3-(4-chlorophenyl)-4,6-dimethoxyindole 在 ammonium acetate 、 potassium hydroxide 、 三氯氧磷 作用下， 以 四氢呋喃 、 二甲基亚砜 、 异丙醇 为溶剂， 反应 24.5h， 生成 1-allyl-3-(4-chlorophenyl)-4,6-dimethoxy-7-(1-nitropent-4-en-2-yl)-1H-indole
  参考文献：
  名称：

  Ring closing metathesis strategies towards functionalised 1,7-annulated 4,6-dimethoxyindoles

  摘要：

  A ring closing metathesis approach has been used to prepare a novel range of indoles 1,7-annulated with nitromethyl and lactone functionalised medium-sized rings. Initial studies into the preparation of lactam functionalised rings are also discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.019

文献信息

• Synthesis of novel 1,7-annulated 4,6-dimethoxyindoles
  作者：Kasey Wood、David StC Black、Irishi N.N. Namboothiri、Naresh Kumar

  DOI：10.1016/j.tetlet.2010.01.076

  日期：2010.3

  A range of new 1,7-annulated indole derivatives has been prepared via a ring-closing metathesis approach starting from N-allyl-7-formyl indoles. (C) 2010 Elsevier Ltd. All rights reserved.
• Ring closing metathesis strategies towards functionalised 1,7-annulated 4,6-dimethoxyindoles
  作者：Kasey Wood、David StC Black、Naresh Kumar

  DOI：10.1016/j.tet.2011.04.019

  日期：2011.6

  A ring closing metathesis approach has been used to prepare a novel range of indoles 1,7-annulated with nitromethyl and lactone functionalised medium-sized rings. Initial studies into the preparation of lactam functionalised rings are also discussed. (C) 2011 Elsevier Ltd. All rights reserved.