4-phenyl-2,6-di(carbomethoxy)-3,5-bis(p-dimethylaminophenyl)-4-phosphacyclohexanone | 1357069-65-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-phenyl-2,6-di(carbomethoxy)-3,5-bis(p-dimethylaminophenyl)-4-phosphacyclohexanone
• 英文别名: dimethyl (2S,3R,5S,6R)-2,6-bis[4-(dimethylamino)phenyl]-4-oxo-1-phenylphosphinane-3,5-dicarboxylate
• CAS: 1357069-65-8
• 化学式: C₃₁H₃₅N₂O₅P
• 分子量: 546.603
• InChiKey: NRUPPYQJWXQHJL-MPMWIJBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2,4-di(methoxycarbonyl)-1,5-bis(p-dimethylaminophenyl)penta-1,4-dien-3-one 、 双(羟甲基)苯膦 在 吡啶 作用下， 反应 4.0h， 以77%的产率得到4-phenyl-2,6-di(carbomethoxy)-3,5-bis(p-dimethylaminophenyl)-4-phosphacyclohexanone
  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.