monodeuterated (1-indenyl)ferrocene | 140175-36-6

• 英文名称: monodeuterated (1-indenyl)ferrocene
• CAS: 140175-36-6
• 化学式: C₁₉H₁₆Fe
• 分子量: 301.175
• InChiKey: SWUFWAKYUFFOTB-KGQPLVKISA-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

• 作为产物：
  描述：

  (1-indenyl)ferrocene 、 重水 在 n-BuLi 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以90%的产率得到monodeuterated (1-indenyl)ferrocene
  参考文献：
  名称：

  单（环戊二烯基）-和双（环戊二烯基）取代的二茂铁的合成与结构

  摘要：

  The reactions of the cyclopentenones 3,4-dimethylcyclopentenone, 1-indanone, and 2-indanone with mono- and dilithioferrocene lead to the synthesis of cyclopentadienyl-substituted ferrocenes: (3,4-dimethyl-cyclopenta-1,3-dienyl)ferrocene (1), (1-indenyl)ferrocene (3), (2-indenyl)ferrocene (4), and 1,1'-bis(3,4-dimethylcyclopenta-1,3-dienyl)ferrocene (2). The crystal structure of compound 2 was determined. The crystal data are as follows: C24H26Fe, triclinic, P1BAR, a = 7.561 (2) angstrom, b = 10.738 (2) angstrom, c = 13.005 (3) angstrom = 102.05 (3)-degrees, beta = 104.29 (3)-degrees, gamma- 108.84 (3)-degrees, V = 919.1 (4) angstrom3, Z = 2, R = 0.0279, and R(W) = 0.0398 on the basis of 2336 reflections with F greater-than-or-equal-to 4-sigma-(F). It displays an unusual cofacial arrangement of the two 3,4-dimethylcyclopenta-1, 3-dienyl rings. The lithium salt of 1 reacts with FeCl2 to give the triferrocenyl bis(1-ferrocenyl-3,4-dimethylcyclopentadienyl)ferrocene (5). The reaction of the dilithium salt of 2 with FeCl2 yields a mixture of polymeric ferrocenes.

  DOI：

  10.1021/om00041a019