p-tolylsulfonylethyne dicobalthexacarbonyl complex | 745017-96-3

• 英文名称: p-tolylsulfonylethyne dicobalthexacarbonyl complex
• CAS: 745017-96-3
• 化学式: C₁₅H₈Co₂O₈S
• 分子量: 466.276
• InChiKey: VAXYKYAWSYJWAS-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：

  、 p-tolylsulfonylethyne dicobalthexacarbonyl complex 在 1,4-diazabicyclo[2.2.2]octane 作用下， 以 甲苯 为溶剂， 以85%的产率得到Co2(μ-p-tolylsulfonylethyne)(CO)4(μ-PuPHOS)
  参考文献：
  名称：

  C−H···O Hydrogen Bond-Directed Ligand Exchange Reaction:  Diastereoselective Synthesis of P,S-Bridged (μ-alkyne)Co₂(CO)₄ Complexes

  摘要：

  Here we describe a nonclassical interaction between a sulfonyl group in a dicobaltcarbonyl-alkyne complex and a methine moiety attached to three heteroatoms (O, P, S) included in the PuPHOS and CamPHOS ligands. This interaction provides an efficient recognition event that yields up to 86% de in the CO-phosphine exchange reaction. The isomerization mechanism leading to the observed diastereomeric bias was studied computationally at the semiempirical level.

  DOI：

  10.1021/om060656m
• 作为产物：
  描述：

  dicobalt octacarbonyl 、 对甲苯基[2-(三甲基甲硅烷基)乙炔基]砜 在 KHCO₃-K₂CO₃ 作用下， 以 甲醇 、 水 为溶剂， 以81%的产率得到p-tolylsulfonylethyne dicobalthexacarbonyl complex
  参考文献：
  名称：

  C−H···O Hydrogen Bond-Directed Ligand Exchange Reaction:  Diastereoselective Synthesis of P,S-Bridged (μ-alkyne)Co₂(CO)₄ Complexes

  摘要：

  Here we describe a nonclassical interaction between a sulfonyl group in a dicobaltcarbonyl-alkyne complex and a methine moiety attached to three heteroatoms (O, P, S) included in the PuPHOS and CamPHOS ligands. This interaction provides an efficient recognition event that yields up to 86% de in the CO-phosphine exchange reaction. The isomerization mechanism leading to the observed diastereomeric bias was studied computationally at the semiempirical level.

  DOI：

  10.1021/om060656m