2-{3-[2,6-Dibromo-4-(2-methylamino-ethyl)-phenoxy]-propyl}-isoindole-1,3-dione | 848430-31-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-{3-[2,6-Dibromo-4-(2-methylamino-ethyl)-phenoxy]-propyl}-isoindole-1,3-dione
• 英文别名: 2-[3-[2,6-Dibromo-4-[2-(methylamino)ethyl]phenoxy]propyl]isoindole-1,3-dione
• CAS: 848430-31-9
• 化学式: C₂₀H₂₀Br₂N₂O₃
• 分子量: 496.198
• InChiKey: IWFORZAPPVAYPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-{3-[2,6-Dibromo-4-(2-methylamino-ethyl)-phenoxy]-propyl}-isoindole-1,3-dione 在 碳酸氢钠 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 27.0h， 生成 11-N-cyano-11-N-methylmoloka'iamine
  参考文献：
  名称：

  Novel Bromotyrosine Derivatives That Inhibit Growth of the Fish Pathogenic Bacterium Aeromonas hydrophila, from a Marine Sponge Hexadella sp.¹

  摘要：

  Three new bromotyrosine derivatives, 11-N-methylmoloka'iamine (1), 11-N-eyano-11-N-methylmoloka'iamine (2), and kuchinoenamine (3), were isolated as antibacterial constituents from a marine sponge Hexadella sp. Their structures were elucidated on the basis of spectral and chemical methods. They exhibited moderate antibacterial activity against the fish pathogenic bacterium Aeromonas hydrophila.

  DOI：

  10.1021/jo048203j
• 作为产物：
  描述：

  11-N-methylmoloka'iamine 、 N-乙氧羰基邻苯二甲酰亚胺 在 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 生成 2-{3-[2,6-Dibromo-4-(2-methylamino-ethyl)-phenoxy]-propyl}-isoindole-1,3-dione
  参考文献：
  名称：

  Novel Bromotyrosine Derivatives That Inhibit Growth of the Fish Pathogenic Bacterium Aeromonas hydrophila, from a Marine Sponge Hexadella sp.¹

  摘要：

  Three new bromotyrosine derivatives, 11-N-methylmoloka'iamine (1), 11-N-eyano-11-N-methylmoloka'iamine (2), and kuchinoenamine (3), were isolated as antibacterial constituents from a marine sponge Hexadella sp. Their structures were elucidated on the basis of spectral and chemical methods. They exhibited moderate antibacterial activity against the fish pathogenic bacterium Aeromonas hydrophila.

  DOI：

  10.1021/jo048203j

文献信息

• Novel Bromotyrosine Derivatives That Inhibit Growth of the Fish Pathogenic Bacterium <i>Aeromonas </i><i>h</i><i>ydrophila</i>, from a Marine Sponge <i>Hexadella</i> sp.¹
  作者：Shigeki Matsunaga、Hirotsugu Kobayashi、Rob W. M. van Soest、Nobuhiro Fusetani

  DOI：10.1021/jo048203j

  日期：2005.3.1

  Three new bromotyrosine derivatives, 11-N-methylmoloka'iamine (1), 11-N-eyano-11-N-methylmoloka'iamine (2), and kuchinoenamine (3), were isolated as antibacterial constituents from a marine sponge Hexadella sp. Their structures were elucidated on the basis of spectral and chemical methods. They exhibited moderate antibacterial activity against the fish pathogenic bacterium Aeromonas hydrophila.