(2,4,6-Trimethylphenyl)-[[6-[(2,4,6-trimethylphenyl)phosphanylidene-trimethylsilyloxymethyl]pyridin-2-yl]-trimethylsilyloxymethylidene]phosphane | 1318075-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (2,4,6-Trimethylphenyl)-[[6-[(2,4,6-trimethylphenyl)phosphanylidene-trimethylsilyloxymethyl]pyridin-2-yl]-trimethylsilyloxymethylidene]phosphane
• 英文别名: (2,4,6-trimethylphenyl)-[[6-[(2,4,6-trimethylphenyl)phosphanylidene-trimethylsilyloxymethyl]pyridin-2-yl]-trimethylsilyloxymethylidene]phosphane
• CAS: 1318075-05-6
• 化学式: C₃₁H₄₃NO₂P₂Si₂
• 分子量: 579.806
• InChiKey: YXTPJHMFJSJDRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.13
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  copper(I) bromide dimethylsulfide complex 、 (2,4,6-Trimethylphenyl)-[[6-[(2,4,6-trimethylphenyl)phosphanylidene-trimethylsilyloxymethyl]pyridin-2-yl]-trimethylsilyloxymethylidene]phosphane 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, structure and π-delocalization of a phosphaalkenyl based neutral PNP-pincer

  摘要：

  Preparation, characterization and structural properties of a novel bis-phosphaalkenyl based PNP-pincer are reported. In this pincer the p-system is delocalized over all three donor sites, which was demonstrated with DFT calculations, UV-Vis measurements and structural findings. As a consequence of this extended delocalization the p-system reveals near coplanarity which is evident from the first crystal structure for an uncomplexed bisphosphaalkenyl PNP-pincer. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.078
• 作为产物：
  描述：

  2,6-氯甲酰吡啶 、 bis(trimethylsilyl)mesitylphosphine 以 甲苯 为溶剂， 以41%的产率得到(2,4,6-Trimethylphenyl)-[[6-[(2,4,6-trimethylphenyl)phosphanylidene-trimethylsilyloxymethyl]pyridin-2-yl]-trimethylsilyloxymethylidene]phosphane
  参考文献：
  名称：

  Synthesis, structure and π-delocalization of a phosphaalkenyl based neutral PNP-pincer

  摘要：

  Preparation, characterization and structural properties of a novel bis-phosphaalkenyl based PNP-pincer are reported. In this pincer the p-system is delocalized over all three donor sites, which was demonstrated with DFT calculations, UV-Vis measurements and structural findings. As a consequence of this extended delocalization the p-system reveals near coplanarity which is evident from the first crystal structure for an uncomplexed bisphosphaalkenyl PNP-pincer. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.078

文献信息

• Synthesis, structure and π-delocalization of a phosphaalkenyl based neutral PNP-pincer
  作者：Andreas Orthaber、Ferdinand Belaj、Rudolf Pietschnig

  DOI：10.1016/j.ica.2011.02.078

  日期：2011.8

  Preparation, characterization and structural properties of a novel bis-phosphaalkenyl based PNP-pincer are reported. In this pincer the p-system is delocalized over all three donor sites, which was demonstrated with DFT calculations, UV-Vis measurements and structural findings. As a consequence of this extended delocalization the p-system reveals near coplanarity which is evident from the first crystal structure for an uncomplexed bisphosphaalkenyl PNP-pincer. (C) 2011 Elsevier B.V. All rights reserved.