1-O-ethyl 5-O-methyl 4-methylidene-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-4-yl]pentanedioate | 1187386-65-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 1-O-ethyl 5-O-methyl 4-methylidene-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-4-yl]pentanedioate
• CAS: 1187386-65-7
• 化学式: C₂₁H₂₆N₂O₆
• 分子量: 402.447
• InChiKey: COHABLRPRNQOTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  96.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-O-ethyl 5-O-methyl 4-methylidene-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-4-yl]pentanedioate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以90%的产率得到4-(4,7,8-trimethylenedecan-5-yl)-1H-indene
  参考文献：
  名称：

  Multistep synthesis of a new tricyclic azaindole-based scaffold

  摘要：

  In this Letter the synthetic pathway adopted for the preparation of a new functionalized tricyclic scaffold containing the 7-azaindole moiety is presented. An intramolecular palladium-mediated reaction is described as the crucial step for a condensed seven-membered ring formation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.06.126
• 作为产物：
  描述：

  2-(溴甲基)丙烯酸甲酯 、 1-(4,4-dimethylpent-1-en-2-yl)-4-(2-methylenepentyl)-1H-indene 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以90%的产率得到1-O-ethyl 5-O-methyl 4-methylidene-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-4-yl]pentanedioate
  参考文献：
  名称：

  Multistep synthesis of a new tricyclic azaindole-based scaffold

  摘要：

  In this Letter the synthetic pathway adopted for the preparation of a new functionalized tricyclic scaffold containing the 7-azaindole moiety is presented. An intramolecular palladium-mediated reaction is described as the crucial step for a condensed seven-membered ring formation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.06.126

文献信息

• Multistep synthesis of a new tricyclic azaindole-based scaffold
  作者：Mauro Angiolini、Andrea Lombardi Borgia、Tiziano Bandiera

  DOI：10.1016/j.tetlet.2009.06.126

  日期：2009.9

  In this Letter the synthetic pathway adopted for the preparation of a new functionalized tricyclic scaffold containing the 7-azaindole moiety is presented. An intramolecular palladium-mediated reaction is described as the crucial step for a condensed seven-membered ring formation. (C) 2009 Elsevier Ltd. All rights reserved.