(η4:η4-[3(4)]cyclopentadienophane)bis(η5-cyclopentadienyl)cobalt | 216314-82-8

• 英文名称: (η4:η4-[3(4)]cyclopentadienophane)bis(η5-cyclopentadienyl)cobalt
• CAS: 216314-82-8
• 化学式: C₃₂H₃₄Co₂O₂
• 分子量: 568.607
• InChiKey: QAMQWPSWWRJQMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (η4:η4-[3(4)]cyclopentadienophane)bis(η5-cyclopentadienyl)cobalt 、 三氟乙酸 以 甲醇 、 氯仿 为溶剂， 以>95的产率得到
  参考文献：
  名称：

  A comparison between CpCo-stabilized cyclopentadienone complexes and their O-alkylated or protonated congeners

  摘要：

  The CpCo-stabilized tricyclic cyclopentadienone complexes 4 and 6 as well as the cyclopentadienonophane 8 were treated with an excess of triethyloxonium tetrafluoroborate. This yields, in case of 4 and 6, to the yellow colored O-ethylcobalticinium salts 5 and 7. In the case of 8 the alkylation yielded the mono- and bis-O-ethylcobalticinium salts 9 and 10, respectively. Protonation of the superphane 8 yields to the diprotonated superphane 11. X-ray investigations allowed a comparison of 5 and 11 with 4 and 8. This comparison shows that the CpCo units in 4 and 8 are more tightly bound to the butadiene units of the cyclopentadienone rings than to the CO groups. In the case of 5 and 11 the distances to all five carbons of the alkoxycyclopentadienyl units are approximately equal. This difference in the bonding was substantiated by model calculations on (eta (5)-cyclopentadienone)(eta (5)-cyclopentadienyl)cobalt (2) and its O-protonated form 12 as well as (eta (4)-butadiene)(eta (5)-cyclopentadienyl)cob (13) and the cobalticinium ion (14). The results show similarities between 2 and 13 as well as 12 and 14. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00431-9
• 作为产物：
  描述：

  carbon monoxide,cobalt,cyclopenta-1,3-diene 、 ((1,3,12,13-η)-tricyclo[11.8.0.0(3,12)]heneicosa-1(13),3(12)-diene-2-one-7,17-diyne)(η5-cyclopentadienyl)cobalt 以 四氢呋喃 为溶剂， 以38%的产率得到(η4:η4-[3(4)]cyclopentadienophane)bis(η5-cyclopentadienyl)cobalt
  参考文献：
  名称：

  具有CpCo稳定的环戊二烯酮单元的Superphanes。合成与性能

  摘要：

  通过与CpCo（CO）2加热，将环状炔烃5-环壬酮（23）和5-环癸酮（24）二聚，分别形成三环CpCo-稳定的环戊二烯酮衍生物25和26。这些二酮转化到三环二炔30，31，和33通过相应的双（selenadiazoles）。尽管二炔30和31无法产生所需的双（环戊二烯基）phanes，但我们成功地获得了33。在CpCo（CO）2存在下加热33在150℃下产生分子内环加成产物34和混合的超显像35。在5°C下在CpCo（CO）2存在下辐照33产生2倍CpCo封端的双（环戊二烯）Superphane 44。该反应顺序，所述的关键化合物26A，31，33，34，和44，已通过X射线结构分析。

  DOI：

  10.1021/om991000e