FeCl2(dppp) | 106245-43-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: FeCl2(dppp)
• 英文别名: 3-Diphenylphosphanylpropyl(diphenyl)phosphane;iron(2+);dichloride；3-diphenylphosphanylpropyl(diphenyl)phosphane;iron(2+);dichloride
• CAS: 106245-43-6
• 化学式: C₂₇H₂₆Cl₂FeP₂
• 分子量: 539.204
• InChiKey: PUWOIOPXQBCXTD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.02
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  FeCl2(dppp) 、 氯丙烯镁 以 乙醚 为溶剂， 以28%的产率得到
  参考文献：
  名称：

  之二的制备（η 3 -烯丙基）铁（II）络合物及其反应用的1,3-二烯

  摘要：

  The title compounds were prepared by treating Fe(PR(3))(2)Cl-2 or Fe(R(2)P(CH2)(n)PR(2))Cl-2 with allylmagnesium chloride. Some of them were also made by reaction of Fe(PR(3))(2)Cl-2 with isopropylmagnesium chloride, or with active-magnesium and allyl chloride, or by reaction between tris(eta(3)-allyl)iron and bis(dimethylphosphino)ethane. The new compounds were characterized by NMR spectroscopy and shown to be formed as a mixture of two isomers that differ in the mutual arrangement of the two allyl groups. The reactions of the bis(allyl)iron compounds with 1,3-dienes were studied: complexes containing eta(4)-1,3-C4H6, eta(4)-1-C3H5C4H5 or eta(5)-l-ethylcyclohexadienyl groups were isolated from the reaction with 1,3-butadiene. The reaction between (eta(3)-C3H5)(2)Fe((Pr2PC2H4PPr)-Pr-i-Pr-i(2)) and 1,3-cyclohexadiene gave (eta(5)-cyclohexadienyl)Fe((Pr2PC2H4PPr2)-Pr-i-Pr-i)H.

  DOI：

  10.1016/0022-328x(94)88046-8
• 作为产物：
  描述：

  iron(dichloride)*1.5(tetrahydrofuran) 、 1,3-双(二苯基膦)丙烷 以 四氢呋喃 为溶剂， 以89%的产率得到FeCl2(dppp)
  参考文献：
  名称：

  JP5955034

  摘要：

  公开号：
• 作为试剂：
  描述：

  di(p-tolyl)zinc 、 3-甲氧基溴苄 在 FeCl2(dppp) 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以90%的产率得到1-methoxy-3-(4-methylbenzyl)benzene
  参考文献：
  名称：

  Iron-catalysed Negishi coupling of benzylhalides and phosphates

  摘要：

  含有1,2-二苯基膦基苯或1,3-二苯基膦基丙烷的铁基催化剂在苯基锌试剂与多种苄卤和磷酸酯的Negishi偶联反应中表现出优异的活性和良好的选择性。

  DOI：

  10.1039/b818961g

文献信息

• [(η⁵-C₅Me₅)Fe(Ph₂PCH₂CH₂CH₂PPh₂)][SO₃CF₃], a Stable 16-Electron Complex with a Coordinating Counteranion and without Agostic Interaction:  The Dramatic Role of a Trivial Methylene Group
  作者：Gilles Argouarch、Paul Hamon、Loïc Toupet、Jean-René Hamon、Claude Lapinte

  DOI：10.1021/om0108245

  日期：2002.4.1

  The iron chloro complex Cp*(dppp)FeCl (Cp* = pentamethylcyclopentadienyl, dppp = 1,3-bis(diphenylphosphino)propane; 2) was prepared from FeCl2(dppp) and Cp*Li in 85% yield. The air-stable compound 2 was characterized by IR-FT, H-1, P-31, and C-13 NMR, cyclic voltammetry (CV), and X-ray crystal analysis. The experimental data indicate that this complex possesses the same electronic properties as its homologue Cp*(dppe)FeCl (dppe = 1,2-bis(diphenylphosphino)ethane; 2'), but shorter distances between the chlorine atom and the hydrogen atoms of the dppp ligand give rise to through-space interactions. The hydride 3 was obtained by treatment of the chloro derivative 2 with LiAlH4 (95%). The changes in the Fe-H bond stretching and redox potential induced by replacement of dppe by dppp is in agreement with the existence of two conformers for the iron hydrides 3 and 3'. The 16-electron species [Cp*(dppp)Fe] [OSO2CF3] (4[OTf]) is obtained by treatment of 3 with methyl triflate in diethyl ether (82%). The pseudo-C-2upsilon conformation of 4[OTf] is established by an X-ray analysis. Complex 4[OTf] possesses a triplet ground state, as shown by the magnetic susceptibility measurements, 1H NMR, and Mossbauer spectroscopy. The UV-vis data obtained for 4[OTf] and its homologue 4'[PF6] suggest that the increase of the bite angle of the bis-phosphine should produce a decrease of the HOMO-LUMO gap of the triplet ground state with a pseudo-C-2upsilon symmetry.
• Synthesis and characterization of mixed-ligand ferracarboranes. Direct metalation of the nido-carborane [nido-7,8-C2B9H12]− mono-anion with 14-e [Ph2P(CH2)nPPh2]FeCl2 (n = 2, 3)
  作者：Anton P. Tyurin、Fedor M. Dolgushin、Alexander F. Smol'yakov、Ivan D. Grishin、Dmitrii I. D'yachihin、Elena S. Turmina、Dmitry F. Grishin、Igor T. Chizhevsky

  DOI：10.1016/j.jorganchem.2013.05.032

  日期：2013.12

  The heating of a mixture of 14-e [Ph2P(CH2)(n)PPh2]FeCl2 (n = 3 or 2) with the [K](+) salt of the [nido-7,8-C2B9H12](-) mono-anion under gentle reflux in benzene affords either the paramagnetic (17-electron) complex [3,3-(dppp)-3-Cl-closo-3,1,2-FeC2B9H11] isolated in 15% yield or a mixture of the paramagnetic complex [3,3-(dppe)-3-Cl-closo-3,1,2-FeC2B9H11] (46% yield) and the diamagnetic complex [commo-8,8'-mu-(Ph2PCH2CH2PPh2)-3,3'-Fe1,2-C2B9H10}(2)] (10% yield). All three novel ferracarboranes were characterized by spectroscopic (EPR or NMR) data and single-crystal X-ray diffraction. (C) 2013 Elsevier B. V. All rights reserved.