(C5Me5)2Ce(η3-CH2CHCH2)(THF) | 863223-65-8

• 英文名称: (C5Me5)2Ce(η3-CH2CHCH2)(THF)
• CAS: 863223-65-8
• 化学式: C₂₇H₄₃CeO
• 分子量: 523.758
• InChiKey: NLTHMAGDKIZXDP-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  (C5Me5)2Ce(η3-CH2CHCH2)(THF) 、 1,5,7-三氮杂双环[4.4.0]癸-5-烯 以 甲苯 为溶剂， 以97%的产率得到(C5Me5)2Ce(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)
  参考文献：
  名称：

  Lanthanide Metallocene Complexes of the 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)¹⁻

  摘要：

  Reaction of the lanthanide metallocene allyl complexes, (C(5)Me(5))2Ln(eta(3)-CH(2)CHCH(2))(THF) (Ln = Ce, Sm, Y) with 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine, Hhpp, forms a series of metallocene complexes, (C(5)Me(5))(2)Ln(hpp) (Ln = Ce, Sm, Y) in which the (hpp)(1-) anion coordinates as a terminal bidentate ligand. Isomorphous structures were observed by X-ray crystallography regardless of the size of the metal. The acetonitrile adduct, (C(5)Me(5))(2)SM(hpp)(MeCN), was also crystallographically characterized to provide an unusual pair of eight- and nine-coordinate complexes. The coordination mode of the (hpp)(1-) anion in these complexes is compared with that in other heteroallylic metallocenes like the caprolactamate (C(5)Me(5))(2)Y(ONC(6)H(10)) and the dithiocarbamate (C(5)Me(5))(2)SM(S(2)CNEt(2)), which was also structurally characterized.

  DOI：

  10.1021/ic801029v