| 745018-00-2

• CAS: 745018-00-2
• 化学式: C₁₃H₁₁Co₂NO₇
• 分子量: 411.219
• InChiKey: CIRZFTMABHNVRD-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：

  PuPHOS-borane complex 、 在 三乙烯二胺 作用下， 以 甲苯 为溶剂， 生成 、
  参考文献：
  名称：

  Phosphine−Substrate Recognition through the C−H···O Hydrogen Bond:  Application to the Asymmetric Pauson−Khand Reaction

  摘要：

  A unique methine moiety attached to three heteroatoms (0, P, S) and contained in the PuPHOS and CamPHOS ligands serves as a strong hydrogen-bond donor. Nonclassical hydrogen bonding of this methine with an amido-carbonyl acceptor provides a completely diastereoselective ligand exchange process between an alkyne dicobalthexacarbonyl complex and a phosphine ligand. This weak contact has been studied by means of X-ray analysis, H-1 NMR, and quantum mechanical calculations and revealed that the present interaction falls in the range of strong C-(HO)-O-...= C bonds. The hydrogen-bond bias obtained in the ligand exchange process has been exploited in the asymmetric intermolecular Pauson-Khand reaction to yield the corresponding cyclization adducts in up to 94% ee.

  DOI：

  10.1021/ja053653u
• 作为产物：
  描述：

  dicobalt octacarbonyl 、 3-(三甲基硅基)丙炔酸 、 二乙胺 在 potassium carbonate 、 1-羟基苯并三唑一水物 、 N,N'-二环己基碳二亚胺 作用下， 以 正己烷 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  Phosphine−Substrate Recognition through the C−H···O Hydrogen Bond:  Application to the Asymmetric Pauson−Khand Reaction

  摘要：

  A unique methine moiety attached to three heteroatoms (0, P, S) and contained in the PuPHOS and CamPHOS ligands serves as a strong hydrogen-bond donor. Nonclassical hydrogen bonding of this methine with an amido-carbonyl acceptor provides a completely diastereoselective ligand exchange process between an alkyne dicobalthexacarbonyl complex and a phosphine ligand. This weak contact has been studied by means of X-ray analysis, H-1 NMR, and quantum mechanical calculations and revealed that the present interaction falls in the range of strong C-(HO)-O-...= C bonds. The hydrogen-bond bias obtained in the ligand exchange process has been exploited in the asymmetric intermolecular Pauson-Khand reaction to yield the corresponding cyclization adducts in up to 94% ee.

  DOI：

  10.1021/ja053653u