(S)-2-((S)-2-(diphenylphosphino)-1,2,3,4-tetrahydroisoquinolin-3-yl)-4-phenyl-4,5-dihydrooxazole | 1256456-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (S)-2-((S)-2-(diphenylphosphino)-1,2,3,4-tetrahydroisoquinolin-3-yl)-4-phenyl-4,5-dihydrooxazole
• 英文别名: (S)-2-((S)-2-(Diphenylphosphanyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)-4-phenyl-4,5-dihydrooxazole；diphenyl-[(3S)-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]phosphane
• CAS: 1256456-79-7
• 化学式: C₃₀H₂₇N₂OP
• 分子量: 462.531
• InChiKey: PNFLMXPHQIRNOL-WDYNHAJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  24.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (S)-4-phenyl-2-((S)-1,2,3,4-tetrahydroisoquinolin-3-yl)-4,5-dihydrooxazole 、 二苯基氯化膦 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到(S)-2-((S)-2-(diphenylphosphino)-1,2,3,4-tetrahydroisoquinolin-3-yl)-4-phenyl-4,5-dihydrooxazole
  参考文献：
  名称：

  Iridium-catalyzed asymmetric hydrogenation of olefins using TIQ phosphine–oxazoline ligands

  摘要：

  A novel family of tetrahydroisoquinoline (TIQ) phosphine-oxazoline ligands and four corresponding iridium complexes have been developed and applied to the asymmetric hydrogenation of unfunctionalized olefins. The results showed that the best conversion rates were observed in up to 99% with an enantiomeric excess of 91%. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.07.032

文献信息

• Iridium-catalyzed asymmetric hydrogenation of olefins using TIQ phosphine–oxazoline ligands
  作者：Sai Kumar Chakka、Byron K. Peters、Pher G. Andersson、Glenn E.M. Maguire、Hendrik G. Kruger、Thavendran Govender

  DOI：10.1016/j.tetasy.2010.07.032

  日期：2010.9

  A novel family of tetrahydroisoquinoline (TIQ) phosphine-oxazoline ligands and four corresponding iridium complexes have been developed and applied to the asymmetric hydrogenation of unfunctionalized olefins. The results showed that the best conversion rates were observed in up to 99% with an enantiomeric excess of 91%. (C) 2010 Elsevier Ltd. All rights reserved.