1,5-di(carbomethoxy)-6,8-bis(p-dimethylaminophenyl)-3-isobutyl-7-phenyl-3-aza-7-phosphabicyclo[3.3.1]nonan-9-one | 1357069-69-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,5-di(carbomethoxy)-6,8-bis(p-dimethylaminophenyl)-3-isobutyl-7-phenyl-3-aza-7-phosphabicyclo[3.3.1]nonan-9-one
• 英文别名: dimethyl (1S,5R,6R,8S)-6,8-bis[4-(dimethylamino)phenyl]-3-(2-methylpropyl)-9-oxo-7-phenyl-3-aza-7-phosphabicyclo[3.3.1]nonane-1,5-dicarboxylate
• CAS: 1357069-69-2
• 化学式: C₃₇H₄₆N₃O₅P
• 分子量: 643.763
• InChiKey: UDKYECUSEPXYGL-WVAQWPKJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 4-phenyl-2,6-di(carbomethoxy)-3,5-bis(p-dimethylaminophenyl)-4-phosphacyclohexanone 、 异丁胺 以 甲醇 为溶剂， 反应 24.0h， 以60%的产率得到1,5-di(carbomethoxy)-6,8-bis(p-dimethylaminophenyl)-3-isobutyl-7-phenyl-3-aza-7-phosphabicyclo[3.3.1]nonan-9-one
  参考文献：
  名称：

  Synthesis and characterisation of 3-aza-7-phosphabicyclo[3.3.1]nonan-9-ones

  摘要：

  Novel 3-aza-7-phosphabicyclo[3.3.1]nonan-9-ones have been synthesised via the Mannich reaction of a phosphorinanone, a primary amine and formaldehyde. The new phosphorus-nitrogen (PN) compounds are rigid and adopt a twin-chair conformation both in solution and the solid states. The coordination properties of the PN compounds were explored and a stable platinum complex was synthesised in which the PN ligand was bonded through both donor atoms. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.12.031

文献信息

• Synthesis and characterisation of 3-aza-7-phosphabicyclo[3.3.1]nonan-9-ones
  作者：Almas I. Zayya、Raymond Vagana、Melanie R.M. Nelson、John L. Spencer

  DOI：10.1016/j.tetlet.2011.12.031

  日期：2012.2

  Novel 3-aza-7-phosphabicyclo[3.3.1]nonan-9-ones have been synthesised via the Mannich reaction of a phosphorinanone, a primary amine and formaldehyde. The new phosphorus-nitrogen (PN) compounds are rigid and adopt a twin-chair conformation both in solution and the solid states. The coordination properties of the PN compounds were explored and a stable platinum complex was synthesised in which the PN ligand was bonded through both donor atoms. (C) 2011 Elsevier Ltd. All rights reserved.