4-methyl-4-benzylisochroman

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-methyl-4-benzylisochroman
• 英文别名: (±)-4-benzyl-4-methylisochroman；4-Benzyl-4-methyl-1,3-dihydroisochromene；4-benzyl-4-methyl-1,3-dihydroisochromene
• 化学式: C₁₇H₁₈O
• 分子量: 238.329
• InChiKey: MDHDTTDAHCWTMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  四苯硼钠 、 1-iodo-2-(((2-methylallyl)oxy)methyl)benzene 在 tris-(dibenzylideneacetone)dipalladium(0) 三(2-呋喃基)膦 、 四乙基氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以60%的产率得到4-methyl-4-benzylisochroman
  参考文献：
  名称：

  Palladium catalysed tandem cyclisation-anion capture processes. Part 3. Organoboron anion transfer agents

  摘要：

  The cyclisation-anion capture protocol has been applied to a wide range of starter and terminating species to effect regio-and stereo-specific mono-and bis-cyclisation processes in which a variety of organoboronderivatives function as anion transfer reagents. Direct capture (no cyclisation) is rarely a problem and it can usually be suppressed by modification of the reaction conditions. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00754-0

文献信息

• Intermolecular Domino Reaction of Two Aryl Iodides Involving Two CH Functionalizations
  作者：Marcel Sickert、Harald Weinstabl、Brendan Peters、Xiao Hou、Mark Lautens

  DOI：10.1002/anie.201400807

  日期：2014.5.12

  A palladium‐catalyzed intermolecular cross‐coupling of two aryl iodides is reported, giving polycyclic ring systems with a high level of convergence and efficiency.

  据报道，钯催化的两个芳基碘化物的分子间交叉偶联使多环系统具有较高的收敛性和效率。
• Palladium catalysed tandem cyclisation-anion capture processes. Part 3. Organoboron anion transfer agents
  作者：Ronald Grigg、JoséM. Sansano、Vijayaratnam Santhakumar、Visuvanathar Sridharan、Ravishanker Thangavelanthum、Mark Thornton-Pett、David Wilson

  DOI：10.1016/s0040-4020(97)00754-0

  日期：1997.8

  The cyclisation-anion capture protocol has been applied to a wide range of starter and terminating species to effect regio-and stereo-specific mono-and bis-cyclisation processes in which a variety of organoboronderivatives function as anion transfer reagents. Direct capture (no cyclisation) is rarely a problem and it can usually be suppressed by modification of the reaction conditions. (C) 1997 Elsevier Science Ltd.