(1S,3aS)-1-phenoxy-2-phenyl-2,3,3a,4-tetrahydro-1H-[1,3,2]diazaphospholo[1,5-a]indole | 1246531-73-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (1S,3aS)-1-phenoxy-2-phenyl-2,3,3a,4-tetrahydro-1H-[1,3,2]diazaphospholo[1,5-a]indole
• CAS: 1246531-73-6
• 化学式: C₂₁H₁₉N₂OP
• 分子量: 346.368
• InChiKey: CDIXSSNZWQMNJN-DFBJGRDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.24
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  15.71
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  (2Sp,5Sc)-2-dimethylamino-3-phenyl-1,3-diaza-2-phosphabenzo[7,8]bicyclo[3.3.0]octane 、 苯酚 以 甲苯 为溶剂， 以81%的产率得到(1S,3aS)-1-phenoxy-2-phenyl-2,3,3a,4-tetrahydro-1H-[1,3,2]diazaphospholo[1,5-a]indole
  参考文献：
  名称：

  New P-stereogenic triaminophosphines and their derivatives: synthesis, structure, conformational study, and application as chiral ligands

  摘要：

  The synthesis, structural, and conformational studies of new P-chiral triaminophosphines, which feature an indolidine and a 1,2,3,4-tetrahydroquinolidine pattern, respectively, are reported. These compounds can feature very different 3D-structures, although they both could be seen a priori as close derivatives of the previously reported 3-phenyl-1,3-diaza-2-phosphabicyclo[3.3.0]octane. The consequences for the use of such compounds and their derivatives in asymmetric metal-catalysis are discussed on the basis of preliminary results in asymmetric cobalt-catalyzed [6+2] cycloaddition. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.03.013