3-(ethoxycarbonyl)-4-(1,5-dimethoxypent-3-yl)pyrrole | 938184-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-(ethoxycarbonyl)-4-(1,5-dimethoxypent-3-yl)pyrrole
• 英文别名: 3-(ethoxycarbonyl)-4-(1,5-dimethoxypent-3-yI)pyrrole；ethyl 4-(1,5-dimethoxypentan-3-yl)-1H-pyrrole-3-carboxylate
• CAS: 938184-18-0
• 化学式: C₁₄H₂₃NO₄
• 分子量: 269.341
• InChiKey: TXEQJRZGXOVZCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  60.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(ethoxycarbonyl)-4-(1,5-dimethoxypent-3-yl)pyrrole 在 sodium hydroxide 作用下， 以 乙二醇 为溶剂， 反应 1.5h， 以53%的产率得到3-(1,5-dimethoxypent-3-yl)pyrrole
  参考文献：
  名称：

  Swallowtail Bacteriochlorins. Lipophilic Absorbers for the Near-Infrared

  摘要：

  Bacteriochlorins absorb strongly in the near-infrared spectral region and hence are ideally suited for diverse photomedical applications, yet naturally occurring bacteriochlorins have limited stability and synthetic malleability. A de novo route has been exploited to prepare synthetic bacteriochlorins that bear a geminal dimethyl group in each pyrroline ring for stability and a symmetrically branched 1,5-dimethoxypentyl group attached to each pyrrole ring for solubility in lipophilic media.

  DOI：

  10.1021/ol800436u
• 作为产物：
  描述：

  ethyl 4-(2-methoxyethyl)-6-methoxyhex-2-enoate 、 对甲基苯磺酰甲基异腈 在 sodium hydride 作用下， 以 乙醚 、 二甲基亚砜 为溶剂， 反应 3.0h， 以74%的产率得到3-(ethoxycarbonyl)-4-(1,5-dimethoxypent-3-yl)pyrrole
  参考文献：
  名称：

  Swallowtail Bacteriochlorins. Lipophilic Absorbers for the Near-Infrared

  摘要：

  Bacteriochlorins absorb strongly in the near-infrared spectral region and hence are ideally suited for diverse photomedical applications, yet naturally occurring bacteriochlorins have limited stability and synthetic malleability. A de novo route has been exploited to prepare synthetic bacteriochlorins that bear a geminal dimethyl group in each pyrroline ring for stability and a symmetrically branched 1,5-dimethoxypentyl group attached to each pyrrole ring for solubility in lipophilic media.

  DOI：

  10.1021/ol800436u

文献信息

• SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES
  申请人：Lindsey Jonathan S.

  公开号：US20090227553A1

  公开（公告）日：2009-09-10

  The present invention provides compounds of the general Formula DI: along with methods of making such compounds, formulations containing the same, and methods of using the same (e.g., in photodynamic therapy, for the production of solar cells, etc.)

  本发明提供了一般公式DI的化合物，以及制备此类化合物的方法，包含此类化合物的配方，以及使用此类化合物的方法（例如，用于光动力疗法，用于太阳能电池的生产等）。
• Synthesis of chlorins and phorbines with enhanced red spectral features
  申请人：North Carolina State University

  公开号：US08207329B2

  公开（公告）日：2012-06-26

  The present invention provides compounds of the general Formula DI: along with methods of making such compounds, formulations containing the same, and methods of using the same (e.g., in photodynamic therapy, for the production of solar cells, etc.).

  本发明提供了一般式DI的化合物，以及制备这些化合物的方法，包含这些化合物的配方，以及使用这些化合物的方法（例如在光动力疗法、用于太阳能电池的生产等领域）。
• WO2007/64842
  申请人：——

  公开号：——

  公开（公告）日：——
• US8207329B2
  申请人：——

  公开号：US8207329B2

  公开（公告）日：2012-06-26
• Swallowtail Bacteriochlorins. Lipophilic Absorbers for the Near-Infrared
  作者：K. Eszter Borbas、Jonathan S. Lindsey

  DOI：10.1021/ol800436u

  日期：2008.5.1

  Bacteriochlorins absorb strongly in the near-infrared spectral region and hence are ideally suited for diverse photomedical applications, yet naturally occurring bacteriochlorins have limited stability and synthetic malleability. A de novo route has been exploited to prepare synthetic bacteriochlorins that bear a geminal dimethyl group in each pyrroline ring for stability and a symmetrically branched 1,5-dimethoxypentyl group attached to each pyrrole ring for solubility in lipophilic media.