(4-bromo-2,6-dimethylphenyl)[1-(6-(1-(4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenylimino)ethyl)pyridin-2-yl)ethylidene]amineiron(II) chloride | 1020072-08-5

• 英文名称: (4-bromo-2,6-dimethylphenyl)[1-(6-(1-(4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenylimino)ethyl)pyridin-2-yl)ethylidene]amineiron(II) chloride
• CAS: 1020072-08-5
• 化学式: C₂₉H₃₃BBrCl₂FeN₃O₂
• 分子量: 673.068
• InChiKey: RFERJQGQSCROME-YCLGAYJTSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  (4-bromo-2,6-dimethylphenyl)[1-(6-(1-(4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenylimino)ethyl)pyridin-2-yl)ethylidene]amine 、 iron(II) chloride 以 四氢呋喃 为溶剂， 以90%的产率得到(4-bromo-2,6-dimethylphenyl)[1-(6-(1-(4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenylimino)ethyl)pyridin-2-yl)ethylidene]amineiron(II) chloride
  参考文献：
  名称：

  Modification of Iron(II) Tridentate Bis(imino)pyridine Complexes by a Boryl Group for the Production of α-Olefins at High Temperature

  摘要：

  A new series of boryl-substituted bis(imino)pyridine ligands [o-PinacoIB-Ph-N=C(Me)-Py-C(Me)=N- Ph-o-BPinaeoll, Pinacol = (-O-(Me)(2)C-C(Me)(2)-O-) (6), [2,4,6-tri-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-o-BPinacol] (11), [4-bromo-2,6-di-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-o-BPinacol] (12), [2,4,6-tri-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-m-BPinacol] (14), [2,4,6-tri-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-p-BPinacol] (17), and [4-Bromo-2,6-di-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-p-BPinacol] (18), and their corresponding Fe(II) complexes [o-PinacolB-Ph-N=C(Me)-Py-C(Me) N-Ph-o-BPinacol)FeCl2] (3), [{2,4,6-tri-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-o-BPinaco}FeCl2] (19), [{4-bromo-2,6-di-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-o-BPinacol} FeCl2] (20), [2,4,6-tri-Me-Ph-N=C (Me)-Py-C(Me)=N-Ph-m-BPinacol}- FeCl2] (21), [2,4,6-tri-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-p-BPinacol) FeCl2] (22), and [(4-bromo-2,6-di-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-p-BPinacol)FeCl2] (23) were synthesized. According to X-ray analysis, the introduction of boryl groups in the ortho-positions of the complex as in 3 caused the shortening of the axial Fe-N bond lengths (up to 0.02 angstrom) vs the analogous Fe(II) complex with ortho-methyl groups [{o-Me-Ph-N=C(Me)-Py-C(Me)=N-Ph-o-Me)FeCl2], 1. The comparisons of the axial bond lengths in ortho-boryl-substituted isomer 19 with para-boryl -substituted 22 revealed that these bonds are shorter in the ortho-isomer (2.201(11) angstrom) than in the para-isomer (2.232(2) angstrom). An interesting structural feature of 3 is that it exists in the unexpected "up-up" conformer in the solid state, despite reasonable bulkiness of dioxaboranyl substituents in ortho-positions. Complexes 21-23 afforded very productive catalysts for the production of alpha-olefins with a more linear Schultz-Flory distribution and with the least amounts of the heavier insoluble fractions of a-olefins than the parent methyl-substituted Fe(II) complex 1.

  DOI：

  10.1021/om800036b