N1-cyclopentyl-N4-(2,6-difluorophenyl)-2-(2,4-dimethylphenyl)-5-methyl-3-oxoisoindoline-1,4-dicarboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N1-cyclopentyl-N4-(2,6-difluorophenyl)-2-(2,4-dimethylphenyl)-5-methyl-3-oxoisoindoline-1,4-dicarboxamide
• 英文别名: 1-N-cyclopentyl-4-N-(2,6-difluorophenyl)-2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-isoindole-1,4-dicarboxamide
• 化学式: C₃₀H₂₉F₂N₃O₃
• 分子量: 517.575
• InChiKey: PXQITSNVFSQWKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,6-二氟苯胺 在 三氟化硼乙醚 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 1.5h， 生成 N1-cyclopentyl-N4-(2,6-difluorophenyl)-2-(2,4-dimethylphenyl)-5-methyl-3-oxoisoindoline-1,4-dicarboxamide
  参考文献：
  名称：

  Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels−Alder Reaction

  摘要：

  The unexpected rearrangement of 2,3,7,7a-tetrahydro-3a, 6-epoxyisoindol-1-one products of the tandem Ugi 4CC/ intramolecular Diels-Alder reaction in 85% H3PO4 was discovered to provide diastereomerically pure tricyclic bis-lactam lactone-containing natural product-like products in high yield. Mechanistic rationale for the observed rearrangement was proposed and has been tentatively confirmed by additional experiments.

  DOI：

  10.1021/jo061825f

文献信息

• NEW COMPOUNDS I/418
  申请人：Bjore Annika

  公开号：US20080015237A1

  公开（公告）日：2008-01-17

  There is provided compounds of formula I, wherein R 1 to R 7 have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

  提供了式I的化合物， 其中R1至R7在描述中给出了它们的含义，这些化合物在预防和治疗心律失常方面非常有用，特别是房性和室性心律失常。
• Isoindoline Derivatives For The Treatment Of Arrhythmias
  申请人：Bjore Annika

  公开号：US20100298392A1

  公开（公告）日：2010-11-25

  There is provided compounds of formula I, wherein R 1 to R 7 have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.
• Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels−Alder Reaction
  作者：Alexei Ilyin、Volodymyr Kysil、Mikhail Krasavin、Irina Kurashvili、Alexandre V. Ivachtchenko

  DOI：10.1021/jo061825f

  日期：2006.12.1

  The unexpected rearrangement of 2,3,7,7a-tetrahydro-3a, 6-epoxyisoindol-1-one products of the tandem Ugi 4CC/ intramolecular Diels-Alder reaction in 85% H3PO4 was discovered to provide diastereomerically pure tricyclic bis-lactam lactone-containing natural product-like products in high yield. Mechanistic rationale for the observed rearrangement was proposed and has been tentatively confirmed by additional experiments.