17-[3,5-Bis(trifluoromethyl)phenyl]-17-aza-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene | 235114-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 17-[3,5-Bis(trifluoromethyl)phenyl]-17-aza-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene
• CAS: 235114-80-4
• 化学式: C₂₃H₁₄F₆NP
• 分子量: 449.335
• InChiKey: AQGFQWNXNYALLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  di-μ-chloro-bis(1,5-cyclooctadiene)dirhodium 、 17-[3,5-Bis(trifluoromethyl)phenyl]-17-aza-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene 以 乙腈 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  BABAR-Phos Rhodium Complexes: Reversible Metal Insertion into a Three-Membered Ring and Catalytic Hydroborations

  摘要：

  DOI：

  10.1002/1521-3773(20000717)39:14<2478::aid-anie2478>3.0.co;2-g
• 作为产物：
  描述：

  N-[3,5-bis(trifluoromethyl)phenyl]-N-dichlorophosphanyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine 在 magnesium 作用下， 生成 17-[3,5-Bis(trifluoromethyl)phenyl]-17-aza-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene
  参考文献：
  名称：

  非常稳健的膦的合成和化学

  摘要：

  BABAR-Phos 是一种非常稳定的多环磷烷，很容易与铑和铂形成络合物。根据氧化态和其他共配体，要么是膦复合物，要么是金属膦烷（作为金属插入的产物）。然而，这些插入反应是可逆的。这些铑 BABAR-Phos 配合物是烯烃选择性硼氢化反应的活性催化剂。

  DOI：

  10.1080/10426500212274

文献信息

• Syntheses and Chemistry of Very Robust Phosphiranes
  作者：Hansjörg Grützmacher、Jürgen Liedtke、Gionata Frasca、Florian Läng、Nicola Pè

  DOI：10.1080/10426500212274

  日期：2002.6.1

  phosphirane that readily forms complexes with rhodium and platinum. Depending on the oxidation state and further co-ligands, either phosphirane complexes or metallaphosphetanes (as products of a metal insertion) prevail. However, these insertion reactions are reversible. These rhodium BABAR-Phos complexes are active catalysts for the selective hydroboration of olefins.

  BABAR-Phos 是一种非常稳定的多环磷烷，很容易与铑和铂形成络合物。根据氧化态和其他共配体，要么是膦复合物，要么是金属膦烷（作为金属插入的产物）。然而，这些插入反应是可逆的。这些铑 BABAR-Phos 配合物是烯烃选择性硼氢化反应的活性催化剂。
• Phosphiranes as Ligands for Platinum Catalysed Hydrosilylations
  作者：Jürgen Liedtke、Sandra Loss、Christoph Widauer、Hansjörg Grützmacher

  DOI：10.1016/s0040-4020(99)00783-8

  日期：2000.1

  The stability of phosphiranes can be enhanced by inclusion of the PC2 ring into a polycyclic framework. BABAR-Phos type phosphiranes are easily prepared in high yield, they are thermally stable and allow the synthesis of various platinum(0) complexes. In contrast to other platinum(0) phosphine complexes, these are active hydrosilylation catalyst precursors. The reversible insertion of an electron rich metal centre into one P-C bond of the phosphirane ring was demonstrated for the first time. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.
• Very Stable Phosphiranes
  作者：Jürgen Liedtke、Sandra Loss、Gilles Alcaraz、Volker Gramlich、Hansjörg Grützmacher

  DOI：10.1002/(sici)1521-3773(19990601)38:11<1623::aid-anie1623>3.0.co;2-k

  日期：1999.6.1

  Zero-valent platinum complexes as precursors for hydrosilylation catalysts have been prepared for the first time with the new BABAR-Phos ligands (the structure of one such complex is depicted). These rather stable phosphiranes can be obtained when the three-membered PC2 ring is incorporated into a polycyclic cage.
• Polycyclic Phosphiranes: Synthesis of C-Substituted BABAR-Phos Compounds
  作者：Florian B. Läng、Hansjörg Grützmacher

  DOI：10.2533/000942903777679451

  日期：——

  BABAR-Phos is a very stable polycyclic phosphirane which is easily synthesized in few steps from dibenzosuberenone. BABAR-Phos is remarkably stable and is not oxygenated with O2 nor does it react with sulfur in boiling toluene. BABAR-Phos can be used as a ligand in homogenous catalysis. Substituents at the carbon of the PC2 heterocycle can be introduced and asymmetric BABAR-Phos were prepared. The coordination chemistry of rhodium complexes containing these as ligands was investigated.

  BABAR-Phos是一种非常稳定的多环膦烷，可以从二苯并苯酮经过几个步骤轻松合成。BABAR-Phos非常稳定，不会被氧气氧化，也不会在沸腾的甲苯中与硫发生反应。BABAR-Phos可以作为均相催化中的配体使用。可以引入PC2杂环的碳上的取代基，并制备不对称的BABAR-Phos。研究了含有这些配体的铑配合物的配位化学。
• BABAR-Phos Rhodium Complexes: Reversible Metal Insertion into a Three-Membered Ring and Catalytic Hydroborations
  作者：Jürgen Liedtke、Heinz Rüegger、Sandra Loss、Hansjörg Grützmacher

  DOI：10.1002/1521-3773(20000717)39:14<2478::aid-anie2478>3.0.co;2-g

  日期：2000.7.17