| 509085-87-4

• CAS: 509085-87-4
• 化学式: C₁₇H₇Co₃O₉
• 分子量: 533.209
• InChiKey: BQHJCAMHGYLNQR-OTERCQQWSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  (phenylacetylene)hexacarbonyldicobalt 、 乙酸-D1 以 further solvent(s) 为溶剂， 以24%的产率得到
  参考文献：
  名称：

  Ring Opening of a Cobalt-Stabilized Bornyl Cation:  Mechanistic Study of the Alkyne−Dicobalt/Carbynyl−Tricobalt Cluster Transformation

  摘要：

  Upon protonation with HBF4, [2-endo-((allyldimethylsilyl)ethynyl)borneol]CO2(CO)(6) (2) suffers elimination of water or propene, to yield [2-((allyldimethylsilyl)ethynyl)born-2-enel-CO2(CO)(6) (11) and [2-endo-((dimethylfluorosilyl)ethynyl)borneol]CO2(CO)(6) (12), respectively, and, surprisingly, the tricobalt complex (2-norbornylidene)CHCCo3(CO)(9) (13). In contrast, protonation of the terminal alkyne (2-endo-ethynylborneol)CO2(CO)(6) (19), an anticipated precursor to 13, led instead to (2-ethynyl-2-bornene)CO2(CO)(6) (21) and the ring-opened species (2-ethynyl-4-isopropyl-l-methylcyclohexa-1,3-diene)CO2(CO)(6) (22). However, conversion of 19 to 13 was achievable upon prolonged heating at reflux in acetone, thereby also affording the corresponding alcohol [2-(2-hydroxybornyl)]CH2CCo3(CO)(9) (20). A mechanistic rationale is offered for the formation of RCH2CCo3(CO)(9) clusters upon protonation of alkyne complexes of the type (RCdropCH)Co-2(CO)(6).

  DOI：

  10.1021/om020727r