| 99456-68-5

• CAS: 99456-68-5
• 化学式: C₁₆H₁₈Co₂O₆
• 分子量: 424.302
• InChiKey: CTJYWBBAGYJUNO-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：

  、 (S,S)-quinoxP 以 甲苯 为溶剂， 以45%的产率得到
  参考文献：
  名称：

  QuinoxP *（CO）4-μ-炔烃双钴配合物的合成，配位研究和催化Pauson-Khand反应

  摘要：

  The coordination of the P-stereogenic and sterically demanding bisphosphine QuinoxP* to mu-alkyne dicobalt hexacarbonyl complexes was studied experimentally and computationally. 'Whereas the coordination occurred exclusively in a chelating fashion, the diastereoselectivity was highly substrate dependent. However, it could be explained from the computed structure and energies of the different coordination modes. The fluxional behavior of these complexes was also studied computationally. Their performance as catalysts for the Pauson-Khand reaction was explored, and outstanding reactivity was observed. Although the asymmetric induction was low to "moderate, the stereochemical outcome could be mechanistically rationalized. This report provides promising results in terms of reactivity and mechanistic understanding for further developments of highly active chiral catalysts for intermolecular Pauson Khand reactions.

  DOI：

  10.1021/acs.organomet.7b00018
• 作为产物：
  描述：

  1-癸炔 、 dicobalt octacarbonyl 以 正己烷 为溶剂， 反应 2.5h， 以99%的产率得到
  参考文献：
  名称：

  QuinoxP *（CO）4-μ-炔烃双钴配合物的合成，配位研究和催化Pauson-Khand反应

  摘要：

  The coordination of the P-stereogenic and sterically demanding bisphosphine QuinoxP* to mu-alkyne dicobalt hexacarbonyl complexes was studied experimentally and computationally. 'Whereas the coordination occurred exclusively in a chelating fashion, the diastereoselectivity was highly substrate dependent. However, it could be explained from the computed structure and energies of the different coordination modes. The fluxional behavior of these complexes was also studied computationally. Their performance as catalysts for the Pauson-Khand reaction was explored, and outstanding reactivity was observed. Although the asymmetric induction was low to "moderate, the stereochemical outcome could be mechanistically rationalized. This report provides promising results in terms of reactivity and mechanistic understanding for further developments of highly active chiral catalysts for intermolecular Pauson Khand reactions.

  DOI：

  10.1021/acs.organomet.7b00018

文献信息

• Carbonylative Cyclization of Alkynes Using Cobalt Carbonyl Species Prepared via Reduction of CoBr₂ with Zn under a Carbon Monoxide Atmosphere
  作者：Thotapally Rajesh、Mariappan Periasamy

  DOI：10.1021/om990534c

  日期：1999.12.1

  Alkyne-Co-2(CO)(6) complexes prepared in situ using CoBr2, Zn, and CO give the corresponding cyclopentenones or cyclopentadienones on heating in toluene or in CH2Cl2 at 25 degrees C in the presence of DMSO or amines.