ethyl 3,5-dimethyl-4-(11'-hydroxyundecyl)pyrrole-2-carboxylate | 1103399-70-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ethyl 3,5-dimethyl-4-(11'-hydroxyundecyl)pyrrole-2-carboxylate
• CAS: 1103399-70-7
• 化学式: C₂₀H₃₅NO₃
• 分子量: 337.503
• InChiKey: RHBZESBSJXNWAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  24.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  62.32
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 3,5-dimethyl-4-(11'-hydroxyundecyl)pyrrole-2-carboxylate 在 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Synthesis of BODIPY-labeled alkylphosphocholines with leishmanicidal activity, as fluorescent analogues of miltefosine

  摘要：

  Two general synthetic methods are described, by which the highly fluorescent and photostable BODIPY group can be inserted in and aligned with the alkyl backbone of linear lipids. These methods have been used to prepare strongly emitting analogues of the leishmanicidal drug miltefosine, in which the antiparasite activity in vitro of the original drug is preserved. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.089
• 作为产物：
  描述：

  3-acetyl-14-hydroxytetradecan-2-one 、 乙酰乙酸乙酯 在 sodium nitrite 、 锌 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 18.0h， 生成 ethyl 3,5-dimethyl-4-(11'-hydroxyundecyl)pyrrole-2-carboxylate
  参考文献：
  名称：

  Synthesis of BODIPY-labeled alkylphosphocholines with leishmanicidal activity, as fluorescent analogues of miltefosine

  摘要：

  Two general synthetic methods are described, by which the highly fluorescent and photostable BODIPY group can be inserted in and aligned with the alkyl backbone of linear lipids. These methods have been used to prepare strongly emitting analogues of the leishmanicidal drug miltefosine, in which the antiparasite activity in vitro of the original drug is preserved. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.089