[[Co2(CO)6]2(μ-η(2):μ-η(2)-HOCH2CCCH2O(cyclo-1-C6H10)C2C2(cyclo-1-C6H10)-OCH2CCCH2OH)] | 1008522-76-6

• 英文名称: [[Co2(CO)6]2(μ-η(2):μ-η(2)-HOCH2CCCH2O(cyclo-1-C6H10)C2C2(cyclo-1-C6H10)-OCH2CCCH2OH)]
• CAS: 1008522-76-6
• 化学式: C₃₆H₃₀Co₄O₁₆
• 分子量: 954.597
• InChiKey: SYHCQGQXTSOZKF-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

• 作为产物：
  描述：

  1,4-双(1-羟基环己基)-1,3-丁二炔 、 2-butyne-1,4-diol-hexacarbonyldicobalt 在 四氟硼酸-二乙醚络合物 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 以15%的产率得到[Co2(CO)6]2(cyclo-μ-η(2):μ-η(2)-OCH2CCCH2OCH2CCCH2O(cyclo-1-C6H10)C2C2(cyclo-1-C6H10)-)
  参考文献：
  名称：

  Self-cyclisation versus diynediol-promoted ring closure during the construction of coordinated crown-type macrocycles

  摘要：

  Treatment of [Co-2(CO)(6) (mu-eta(2)-HOCH2C CCH2OH)] (1a) with a catalytic quantity of HBF4 .OEt2 affords [{CO2(CO)(6)}(2) {cyclo-mu-eta(2) :mu-eta(2)-OCH2C CCH2OCH2C CCH2-}] (2) and [{CO2(CO)(6)}(3) {cyclo-mu-eta(2) :mu-eta(2):mu-eta(2)-OCH2C CCH2OCH2C CCH2OCH2C CCH2-}](3), in which cyclodimerisation and cyclotrimerisation of la has occurred, respectively. The molecular structures of 2 and 3 reveal non-bonding oxygen-oxygen separations within the macrocycles of 4.716 angstrom (2) and 3.968-5.045 angstrom (3). On the other hand, introduction of one equivalent of the cyclohexyl-substituted diyne-diol, (1-HO-cyclo-C6H10)C CC C(1-HO-cyclo-C6H10), to the reaction furnishes the macrocyclic complexes [{Co-2(Co)(6))(2)} {cyclo-mu-eta(2) :mu-eta(2)-OCH2C CCH2OCH2C CCH2C CCH2O(cyclo-C6H10)-}] (4) and [{CO2(CO)(6)}(3){cyclo-mu-eta(2):mu-eta(2):mu-eta(2)-OCH2C CCH2OCH2C CCH2OCH2C CCH2O(cyclo-1-C6H10)-}] (5), in which the chain ends of the rigid 1,3-diyne unit are linked by either di- or tri-merised derivatives of Ia. Also isolated in the reaction is the open-chain species [{Co-2(Co)(6))(2)}(mu-eta(2):mu-eta(2)-HOCH2C CCH2O)(cyclo-1-C6H10)C2C2(cyclo-1-C6H10)-OCH2C CCH2OH)] (6). Inspection of the molecular structure of 4 reveals a 17-membered ring with the non-bonding oxygen-oxygen separations ranging from 4.958 to 7.257 angstrom. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.08.038