isobutyrylcobalt tetracarbonyl | 38784-32-6

• 英文名称: isobutyrylcobalt tetracarbonyl
• CAS: 38784-32-6
• 化学式: C₈H₇CoO₅
• 分子量: 242.134
• InChiKey: OFOKNAHLUATELQ-UHFFFAOYSA-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

• 作为反应物：
  描述：

  isobutyrylcobalt tetracarbonyl 在 氢碘酸 作用下， 以 乙醚 、 正庚烷 为溶剂， 生成 tetracarbonyl iodo cobalt
  参考文献：
  名称：

  Cleavage of Co-C and Co-Co bonds by hydrogen halides. Reaction of (CH3)2CHC(O)Co(CO)4, Co2(CO)8, Co2(CO)7PPh3 and Co2(CO)6(PBun3)with HX (X = Cl, I)

  摘要：

  DOI：

  10.1016/s0020-1693(00)84604-6
• 作为产物：
  描述：

  n-butyrylcobalt tetracarbonyl 在 一氧化碳 作用下， 以 正辛烷 为溶剂， 生成 isobutyrylcobalt tetracarbonyl
  参考文献：
  名称：

  Kinetics and equilibrium of the olefin-promoted interconversion of n-butyryl- and isobutyrylcobalt tetracarbonyl. The aldehyde isomer ratio in the cobalt-catalyzed olefin hydroformylation

  摘要：

  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.

  DOI：

  10.1021/om00040a030

文献信息

• The preparation of acyltetracarbonylcobalt compounds from ketenes and hydridotetracarbonylcobalt
  作者：Ferenc Ungvary

  DOI：10.1016/0022-328x(86)80136-x

  日期：1986.4

  Ketenes (R1R2CCO, R1, R2 = H or alkyl) react rapidly at −79°C with hydridotetracarbonylcobalt in a 11 molar ratio to form quantitatively the corresponding acyltetracarbonylcobalts, which can be isolated in good to excellent yields. Electron-withdrawing substituents in the ketene lower the reactivity towards HCo(CO)4.

  烯酮（R 1 - [R 2 CCO，R 1，R 2 = H或烷基）在-79℃下迅速反应以在11摩尔比氢四，以形成定量相应acyltetracarbonylcobalts，可以在良好的隔离，以优异的产量。乙烯酮中的吸电子取代基降低了对HCo（CO）4的反应性。
• New route for the preparation of acylcobalt tetracarbonyls from ketenes and HCo(CO)₄
  作者：Ferenc Ungváry

  DOI：10.1039/c39840000824

  日期：——

  Hydridotetracarbonylcobalt reacts rapidly at –79 °C with dimethyl ketene and ethyl ketene to give quantitatively isobutyrycobalt tetracarbonyl and n-butyrycobalt tetracarbonyl, respectively.

  氢化四羰基钴在–79°C下与二甲基乙烯酮和乙基乙烯酮快速反应，分别得到定量的异丁基钴四羰基和正丁基钴四羰基。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Co: Org.Verb.1, 1.1.4.5.2.3, page 123 - 129
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Co: Org.Verb.1, 1.1.4.4.1.2.1, page 87 - 93
  作者：

  DOI：——

  日期：——
• <b>Steric and Electronic Effects in the Dissociation of Cobalt Carbonyl Derivatives. I. Acylcobalt Carbonyls</b>
  作者：R. F. Heck

  DOI：10.1021/ja00889a001

  日期：1963.3