[3-Di(propan-2-yl)phosphanyloxynaphthalen-1-yl]oxy-di(propan-2-yl)phosphane | 1432017-00-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [3-Di(propan-2-yl)phosphanyloxynaphthalen-1-yl]oxy-di(propan-2-yl)phosphane
• 英文别名: [3-di(propan-2-yl)phosphanyloxynaphthalen-1-yl]oxy-di(propan-2-yl)phosphane
• CAS: 1432017-00-9
• 化学式: C₂₂H₃₄O₂P₂
• 分子量: 392.458
• InChiKey: CBRLEZIRTWYQIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [3-Di(propan-2-yl)phosphanyloxynaphthalen-1-yl]oxy-di(propan-2-yl)phosphane 、 nickel dichloride 以 甲苯 为溶剂， 反应 20.0h， 以77%的产率得到[NiCl{C10H5-2,10-(OPiPr2)2}]
  参考文献：
  名称：

  Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes

  摘要：

  A series of heterobimetallic complexes have been prepared in good yields by,,6 coordination of [Cp*Ru](+), [CpRu](+), [CpFe](+), and [Cr(CO)(3)] fragments to the aromatic ring of nonsymmetric Ni(II), Pd(II), and Pt(II) naphthoresorcinate POCOP compounds, and the molecular structures of the new compounds have been unequivocally determined by single-crystal X-ray diffraction crystallography. The reaction is regiospecific, and only coordination at the noncyclometalated ring is observed. The coordination occurs in an orthogonal fashion, and as a consequence, the heterobimetallic species exhibit axial desymmetrization of the pincer fragment, generating molecules with planar chirality. In addition, the electronic properties of the metal center can be tuned by the effect of pi coordination of the second metal, as shown by electrochemical studies. The observed specificity of the reaction is discussed and supported with theoretical studies.

  DOI：

  10.1021/om400147x
• 作为产物：
  描述：

  氯二异丙基膦 、 间萘二酚 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 [3-Di(propan-2-yl)phosphanyloxynaphthalen-1-yl]oxy-di(propan-2-yl)phosphane
  参考文献：
  名称：

  非对称钌（II）POCOP钳形配合物及其双金属衍生物的合成通过嗜肾细胞碎片的π配位合成

  摘要：

  易于从[RuCl 2（COD）中以良好的收率获得一系列通式为[Ru（POCOP）（X）（CO）]（X = Cl，H）的中性16-电子方形金字塔型钌（II）配合物。）] ñ以及基于所述naphthoresorcinate骨干不同POCOP钳配体。通过单晶X射线衍射明确地确定了两种化合物的分子结构，在氯化物或氢化物配体的配位下显示出不同的立体化学。通过DFT计算可以解释观察到的差异。η的区域专一6的-coordination第二个12电子有机金属片段的上外的POCOP钳配体的芳族环在温和条件下达到了，并且相应的[（ML Ñ）Ru（POCOP）（X）（CO）] PF 6（ML n = [RuCp] +，[RuCp *] +和[FeCp *] +）双金属三明治状物质，为空气稳定的固体。

  DOI：

  10.1002/ejic.202000425

文献信息

• Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes
  作者：Noel Ángel Espinosa-Jalapa、Simón Hernández-Ortega、Xavier-Fredéric Le Goff、David Morales-Morales、Jean-Pierre Djukic、Ronan Le Lagadec

  DOI：10.1021/om400147x

  日期：2013.5.13

  A series of heterobimetallic complexes have been prepared in good yields by,,6 coordination of [Cp*Ru](+), [CpRu](+), [CpFe](+), and [Cr(CO)(3)] fragments to the aromatic ring of nonsymmetric Ni(II), Pd(II), and Pt(II) naphthoresorcinate POCOP compounds, and the molecular structures of the new compounds have been unequivocally determined by single-crystal X-ray diffraction crystallography. The reaction is regiospecific, and only coordination at the noncyclometalated ring is observed. The coordination occurs in an orthogonal fashion, and as a consequence, the heterobimetallic species exhibit axial desymmetrization of the pincer fragment, generating molecules with planar chirality. In addition, the electronic properties of the metal center can be tuned by the effect of pi coordination of the second metal, as shown by electrochemical studies. The observed specificity of the reaction is discussed and supported with theoretical studies.
• Synthesis of Non‐Symmetric Ruthenium(II) POCOP Pincer Complexes and Their Bimetallic Derivatives by π‐Coordination of Arenophile Fragments
  作者：Manuel A. Roque‐Ramires、Longzhu Shen、Ronan Le Lagadec

  DOI：10.1002/ejic.202000425

  日期：2020.7.31

  series of neutral 16‐electron square pyramidal ruthenium(II) complexes of the general formula [Ru(POCOP)(X)(CO)] (X = Cl, H) have readily been obtained in good yields from [RuCl2(COD)]n and different POCOP pincer ligands based on the naphthoresorcinate backbone. The molecular structure of two of the compounds was unequivocally determined by single‐crystal X‐ray diffraction, showing different stereochemistries

  易于从[RuCl 2（COD）中以良好的收率获得一系列通式为[Ru（POCOP）（X）（CO）]（X = Cl，H）的中性16-电子方形金字塔型钌（II）配合物。）] ñ以及基于所述naphthoresorcinate骨干不同POCOP钳配体。通过单晶X射线衍射明确地确定了两种化合物的分子结构，在氯化物或氢化物配体的配位下显示出不同的立体化学。通过DFT计算可以解释观察到的差异。η的区域专一6的-coordination第二个12电子有机金属片段的上外的POCOP钳配体的芳族环在温和条件下达到了，并且相应的[（ML Ñ）Ru（POCOP）（X）（CO）] PF 6（ML n = [RuCp] +，[RuCp *] +和[FeCp *] +）双金属三明治状物质，为空气稳定的固体。