FeCl2(2,6-bis(di-tert-butylphosphinomethyl)pyridine) | 1076221-00-5

• 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: FeCl2(2,6-bis(di-tert-butylphosphinomethyl)pyridine)
• 英文别名: ditert-butyl-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]phosphane;iron(2+);dichloride
• CAS: 1076221-00-5
• 化学式: C₂₃H₄₃Cl₂FeNP₂
• 分子量: 522.302
• InChiKey: UYKRURRTWGLBAC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  一氧化碳 、 FeCl2(2,6-bis(di-tert-butylphosphinomethyl)pyridine) 在 Na#Hg 作用下， 以 甲苯 为溶剂， 生成 (κ3-2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(CO)2
  参考文献：
  名称：

  铁的某些PNP-铁配合物的异常结构和光谱特征

  摘要：

  我们报告的结构，光谱，以及两个的计算研究吨卜PNP（2,6-二（二-叔丁基膦）吡啶）铁的配合物，（吨卜PNP）的FeCl 2（1）和（吨卜PNP）Fe（CO）2（3）。同样由米尔斯坦（Milstein ）独立合成的络合物1（t Bu PNP）FeCl 2具有异常长的铁-配体键距。DFT计算表明，这些显然归因于其高自旋电子结构，并且特别地强反键d的占用X 2 -y 2轨道。3的晶体结构揭示了两个不同寻常的方面。（1）尽管通常预期五坐标的Fe（0）络合物是TBP，但3中铁原子周围的几何形状比四角锥体（SQP；顶端CO）更接近三角锥体（TBP）。此外，Chirik等。已报道（ i PrPNP）Fe（CO）2具有基本上完美的TBP结构（ i PrPNP ＝ 2，6-双（二异丙基-膦基甲基）吡啶。（2）在心尖羰基配位体3个从线性（FE-C-O = 171.9°）显著偏离。此外，复杂3呈强烈的蓝色，这

  DOI：

  10.1021/om800425p
• 作为产物：
  描述：

  2,6-双(二叔丁基膦基甲基)吡啶 、 iron(II) chloride 以 四氢呋喃 为溶剂， 以90%的产率得到FeCl2(2,6-bis(di-tert-butylphosphinomethyl)pyridine)
  参考文献：
  名称：

  Iron(II) complexes based on electron-rich, bulky PNN- and PNP-type ligands

  摘要：

  Reaction of the PNN ligand ((2-(di-tert-butylphosphinomethyl)-6-diethylaminomethyl)pyridine) with I equiv. of anhydrous FeCl2 in THF results in the formation of (PNN)FeCl2 (1). The cationic complex [(PNN)Fe(THF)Cl](PF6) (2) was obtained by chloride abstraction from I with I equiv. of TlPF6. Similarly, the PNP-type complexes 3 and 4 were obtained from FeCl2 with I equiv. of t-Bu-PNP (2,6-bis(di-tert-butylphosphinomethyl)pyridine) and i-Pr-PNP (2,6-bis(di-iso-propylphosphinomethyl)pyridine), respectively. Complexes 1 and 3 were characterized by X-ray diffraction and elemental analyses. In both structures the Fe(II) centers exhibit a distorted square pyramidal geometry comprising two chloride ligands and one tridentate PNN or PNP ligand. The magnetic properties of the paramagnetic complexes 1-4 are discussed. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.11.039

文献信息

• Synthesis, characterization and reactivity of iron- and cobalt-pincer complexes
  作者：Ashleigh D. Smith、Anu Saini、Laci M. Singer、Neha Phadke、Michael Findlater

  DOI：10.1016/j.poly.2015.12.037

  日期：2016.8

  The (PONOP)-P-tBu (2,6-bis(di-tert-butyl-phosphinito)pyridine) complexes of iron and cobalt, ((PONOP)-P-tBu)FeCl2 (1) and ((PONOP)-P-tBu)CoCl2 (2)) have been prepared. Both complexes are paramagnetic and the solid-state structures of 1 and 2 were determined by single crystal X-ray diffraction studies. Analogous Fe and Co complexes of the (PNP)-P-tBu (2,6-bis(di-tert-butyl-phosphinomethyl)pyridine) ligand (3 and 4, respectively) were prepared to allow comparison between the closely related pincer ligands in the hydrosilylation of carbonyl moieties. All four complexes were found to be catalytically active when treated with NaBEt3H, which was assumed to generate a metal-hydride species in-situ. (C) 2016 Elsevier Ltd. All rights reserved.