N-phenylsulphonyl-3-benzyl-3-methyl-2,3,3a,6,7,7a-hexahydroindole | 134836-62-7

• 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: N-phenylsulphonyl-3-benzyl-3-methyl-2,3,3a,6,7,7a-hexahydroindole
• 英文别名: (3S,3aR,7aR)-1-(benzenesulfonyl)-3-benzyl-3-methyl-3a,6,7,7a-tetrahydro-2H-indole
• CAS: 134836-62-7
• 化学式: C₂₂H₂₅NO₂S
• 分子量: 367.512
• InChiKey: WYSYQXJPZVWVNX-BHDDXSALSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-phenylsulphonyl methallylamine 在 palladium diacetate sodium hydride 、 三苯基膦 作用下， 以 苯甲醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 N-phenylsulphonyl-3-benzyl-3-methyl-2,3,3a,6,7,7a-hexahydroindole
  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

• Palladium catalysed tandem cyclisation-anion capture processes initiated by alkyl- and π-allyl-palladium species
  作者：Ronald Grigg、Sukanthini Sukirthalingam、Visuvanathar Sridharan

  DOI：10.1016/s0040-4039(00)74377-2

  日期：1991.11

  Palladium catalysed tandem cyclisation-anion capture processes initiated by oxidative addition of benzylic or allylic halides or acetates to Pd(O) occure regio- and stereo- specifically in good yield. Examples of “anion” capture involving formate (H−), and organo - tin, -zinc, and -boron species are described.

  通过将苄基或烯丙基卤化物或乙酸盐氧化添加到Pd（O）中引发的钯催化的串联环化-阴离子捕获过程特别以良好的产率在区域和立体上发生。（H“阴离子”捕获涉及甲酸的实例- ），和有机-锡， -锌，和-硼物种中有描述。
• 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.