octanoyltetracarbonylcobalt | 121253-49-4

• 英文名称: octanoyltetracarbonylcobalt
• CAS: 121253-49-4
• 化学式: C₁₂H₁₅CoO₅
• 分子量: 298.241
• InChiKey: GGDQGMIQKFDRCI-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：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1-庚烯 、 cobalt tetracarbonyl hydride 在 dicobalt octacarbonyl 一氧化碳 作用下， 以 正庚烷 为溶剂， 生成 octanoyltetracarbonylcobalt
  参考文献：
  名称：

  HCo（CO）4与烯烃的反应。Co 2（CO）8的作用

  摘要：

  八羰基二钴催化从烯烃和四羰基钴氢化物催化生成酰基钴四羰基和链烷烃，大概是通过产生自由基物质。CO和HCo（CO）4对烷基钴羰基的相对反应性决定了羰基化/氢化率。

  DOI：

  10.1016/s0022-328x(00)90024-x

文献信息

• Kinetics and equilibrium of the olefin-promoted interconversion of n-butyryl- and isobutyrylcobalt tetracarbonyl. The aldehyde isomer ratio in the cobalt-catalyzed olefin hydroformylation
  作者：Mihail S. Borovikov、Istvan Kovacs、Ferenc Ungvary、Attila Sisak、Laszlo Marko

  DOI：10.1021/om00040a030

  日期：1992.4

  The interconversion of n-butyrylcobalt tetracarbonyl (1) and isobutyrylcobalt tetracarbonyl (2) is catalyzed by ethene, propene, or 1-heptene. The equilibrium constant, K = [1]/[2], is 1.32 +/- 0.03 (25-degrees-C), 1.38 +/- 0.02 (45-degrees-C), 1.44 +/- 0.03 (65-degrees-C), and 1.50 +/- 0.02 (85-degrees-C), which gives DELTA-H = 0.47 +/- 0.2 kcal/mol and DELTA-S = 2.13 +/- 0.60 cal/(mol K). The rate of the interconversion is first order with respect to both 1 (or 2) and olefin and is negative second order with respect to carbon monoxide. The rate constants for the conversion of 2 to 1 in the presence of 1-heptene are (8.06 +/- 0.15) x 10(-10) M s-1 (25-degrees-C), (7.85 +/- 0.17) x 10(-9) M s-1 (35-degrees-C), and (6.49 +/- 0.20) x 10(-8) M s-1 (45-degrees-C), which give E(a) = 41.2 +/- 0.4 kcal/mol. These data suggest that the aldehyde isomer ratio in the commercially important cobalt-catalyzed propene hydroformylation is mainly determined by the rate of isomerization of 1 to 2, which depends dramatically on the partial pressure of carbon monoxide and on the temperature. Thus, at low P(CO), where the rate of acyl isomerization is fast and comparable with the rate of acyl reduction, the 1.6 n/iso ratio of the butyrldehydes (110-degrees-C, P(CO) = 2.5 bar) reflects closely the equilibrium isomer ratio of the precursor butyrylcobalt tetracarbonyls. On the other hand, at high P(CO), where the acyl isomerization is almost completely suppressed, the 4.4 n/iso butyraldehyde isomer ratio (110-degrees-C, P(CO) = 90 bar) is the result of the reduction of an acylcobalt isomer mixture that consists mainly of n-butyrylcobalt tetracarbonyl, the kinetically favored acylcobalt product.
• Reactions of homo- and heterobinuclear cobalt carbonyls with metal carbonyl hydrides
  作者：Istvan Kovacs、Attila Sisak、Ferenc Ungvary、Laszlo Marko

  DOI：10.1021/om00110a008

  日期：1989.8
• Octanoylcobalt tetracarbonyl formation from ethoxycarbonylcobalt tetracarbonyl and 1-heptene under CO+H2 pressure at 25 °C
  作者：Mihail S. Borovikov、István Kovács、Ferenc Ungváry、Attila Sisak、László Markó

  DOI：10.1016/0304-5102(92)80107-r

  日期：1992.9