| 1361408-34-5

• CAS: 1361408-34-5
• 化学式: C₃₃H₃₇N₃NiO₆S₃
• 分子量: 726.561
• InChiKey: CLRZZJWBJSENRQ-GWDFKRKCSA-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

• 作为产物：
  描述：

  (E,E)-1,6,11-tris(4-tolylsulfonyl)-1,6,11-triazacyclopentadeca-3,8-diene-13-yne 、 (4,9-bis(4-tolylsulfonyl)-4,9-diazadodeca-1,11-dien-6-yne)nickel(0) 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands

  摘要：

  The acydic 4,9-bis(4-tolylsulfonyl)-4,9-diazadodeca-1,11-dien-6-yne (1) and 4,9-bis(4-tolylsulfonyl)-4,9-diazatrideca-1,(E)-6-dien-11-yne (2), which differ in the sequence of the two ene and one yne functions in the chain, have been reacted with 1 and 2 equiv of Ni(cod)(2). The reaction with 1 equiv of Ni(cod)(2) affords the mononuclear trigonalplanar nickel(0) complexes 3 and 5. These react with a further 1 equiv of Ni(cod)(2) by addition of a Ni(cod) entity to give the dinuclear derivatives 4 and 6. While 3 forms a mixture of isomers C-2-3 and C-s-3 in solution, C-2-3 is exclusively present in the crystal, where it is packed in parallel columns. Complex 6 crystallizes as a spherulite. Complexes 3-6 have been characterized by NMR and single-crystal X-ray structure analysis, and a detailed conformational analysis is given.

  DOI：

  10.1021/om301160m