2,4-bis(6-acetylpyridin-2-yl)-3H-benzazepine | 1429044-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 2,4-bis(6-acetylpyridin-2-yl)-3H-benzazepine
• 英文别名: 1-[6-[2-(6-acetylpyridin-2-yl)-3H-1-benzazepin-4-yl]pyridin-2-yl]ethanone
• CAS: 1429044-91-6
• 化学式: C₂₄H₁₉N₃O₂
• 分子量: 381.434
• InChiKey: OCGIHDWVCOVYBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4-bis(6-acetylpyridin-2-yl)-3H-benzazepine 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 14.0h， 生成 [(2,4-bis[6-(1-(2,4,6-trimethylphenylimino)ethyl)pyridin-2-yl]-3H-benzazepine)CoCl₂]
  参考文献：
  名称：

  Probing the Characteristics of Mono- or Bimetallic (Iron or Cobalt) Complexes Bearing 2,4-Bis(6-iminopyridin-2-yl)-3H-benzazepines: Synthesis, Characterization, and Ethylene Reactivity

  摘要：

  A series of 2,4-bis(6-iminopyridin-2-yl)-3H-benzazepines and the mono- or bimetallic (Fe2+ or Co2+) complexes thereof were synthesized and characterized. All title complexes, when activated by MAO or MMAO, exhibited high activities of up to 4.0 x 10(7) g (mol of Fe)(-1) h(-1) for ethylene oligomerization and polymerization. The iron(II) precatalysts generally showed higher activities and produced a wider distribution of products (including oligomers and polyethylene) than did their corresponding cobalt(II) analogues. The bimetallic precatalysts exhibited higher (almost twice) activities in comparison to their monometallic analogues The distribution of the resulting oligomers closely resembled the Schultz-Flory rule.

  DOI：

  10.1021/om301086p
• 作为产物：
  描述：

  2,6-二乙酰基吡啶 、 2-氟苯胺 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 8.0h， 以21%的产率得到2,4-bis(6-acetylpyridin-2-yl)-3H-benzazepine
  参考文献：
  名称：

  Probing the Characteristics of Mono- or Bimetallic (Iron or Cobalt) Complexes Bearing 2,4-Bis(6-iminopyridin-2-yl)-3H-benzazepines: Synthesis, Characterization, and Ethylene Reactivity

  摘要：

  A series of 2,4-bis(6-iminopyridin-2-yl)-3H-benzazepines and the mono- or bimetallic (Fe2+ or Co2+) complexes thereof were synthesized and characterized. All title complexes, when activated by MAO or MMAO, exhibited high activities of up to 4.0 x 10(7) g (mol of Fe)(-1) h(-1) for ethylene oligomerization and polymerization. The iron(II) precatalysts generally showed higher activities and produced a wider distribution of products (including oligomers and polyethylene) than did their corresponding cobalt(II) analogues. The bimetallic precatalysts exhibited higher (almost twice) activities in comparison to their monometallic analogues The distribution of the resulting oligomers closely resembled the Schultz-Flory rule.

  DOI：

  10.1021/om301086p