[FeCl3(2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine)] | 1310549-49-5

• 英文名称: [FeCl3(2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine)]
• CAS: 1310549-49-5
• 化学式: C₂₁H₁₇Cl₃F₂FeN₃
• 分子量: 511.589
• InChiKey: HQZQXTORYQVTDP-QFYAXKMSSA-K

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：

  (Z,E)-2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine 、 三氯化铁 以 四氢呋喃 为溶剂， 以65.5%的产率得到[FeCl3(2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine)]
  参考文献：
  名称：

  Highly trans-1,4 selective polymerization of 1,3-butadiene initiated by iron(III) bis(imino)pyridyl complexes

  摘要：

  A series of 2,6-bis(imino) pyridyl iron(III) complexes of the general formula [2,6-(ArN=CMe)(2)C5H3N] FeCl3 (Ar = -C6H5, 3a; 2-MeC6H4, 3b; 2-EtC6H4, 3c; 2-(PrC6H4)-Pr-i, 3d; cyclohexyl, 3e; 4-MeC6H4, 3f; 4-(PrC6H4)-Pr-i, 3g; 4-FC6H4, 3h and 4-CF3C6H4, 3i), activated by alkylaluminum, MAO or MMAO, have been investigated in 1,3-butadiene polymerization. Iron(III) complex (3a), with the least steric hindrance around the metal center, gives polymer up to 99% in yield in 4 h (butadiene to iron ratio = 1000), and trans-1,4 selectivity about 94.7% at room temperature in toluene, while those (3b-3d) bearing alkyl substituents at the 2-position of each N-aryl ring exhibit much lower catalytic activity and tunable trans-1,4 selectivity. Introduction of an alkyl group at the 4-position (para-position, 3f and 3g) exerts a slightly beneficial effect on the trans-1,4 selectivity, while electronegative groups at the same position (3h and 3i) affect negatively on the activity. The effects of temperature, types of cocatalyst and Al/Fe molar ratio on the polymerization behavior are investigated. More importantly, a mechanism for forming trans-1,4 structure is also proposed. Crown Copyright (C) 2011 Published by Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.03.047