3,3'-dimethyl-5,5'-ethanediyl-bis-pyrrole-2,4-dicarboxylic acid-4,4'-diethyl ester | 211812-37-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3,3'-dimethyl-5,5'-ethanediyl-bis-pyrrole-2,4-dicarboxylic acid-4,4'-diethyl ester
• 英文别名: 3,3'-Dimethyl-5,5'-aethandiyl-bis-pyrrol-2,4-dicarbonsaeure-4,4'-diaethylester；5-[2-(5-carboxy-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)ethyl]-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
• CAS: 211812-37-2
• 化学式: C₂₀H₂₄N₂O₈
• 分子量: 420.419
• InChiKey: VSAGLPNFBWFPFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  159
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3,3'-dimethyl-5,5'-ethanediyl-bis-pyrrole-2,4-dicarboxylic acid-4,4'-diethyl ester 在 palladium on activated charcoal 氢气 、 碘 、 碳酸氢钠 、 三乙胺 、 potassium iodide 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 1.5h， 生成 5,5'-diformyl-4,4'-dimethyl-2,2'-ethane-1,2-diyl-bis-pyrrole-3-carboxylic acid diethyl ester
  参考文献：
  名称：

  Synthesis of functionalized corrphycene by copper(II)-promoted cyclization

  摘要：

  Corrphycene bearing two peripheral ethoxycarbonyl groups was formed in 19% yield via copper(II)-catalyzed cyclization of a linear tetrapyrrole. The reaction utilizes readily available precursors and is easily performed to provide a simple access to the functionalized corrphycene. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01025-9
• 作为产物：
  描述：

  3,3'-dimethyl-5,5'-ethanediyl-bis-pyrrole-2,4-dicarboxylic acid tetraethyl ester 在 sodium hydroxide 作用下， 以 水 为溶剂， 以87%的产率得到3,3'-dimethyl-5,5'-ethanediyl-bis-pyrrole-2,4-dicarboxylic acid-4,4'-diethyl ester
  参考文献：
  名称：

  Synthesis of functionalized corrphycene by copper(II)-promoted cyclization

  摘要：

  Corrphycene bearing two peripheral ethoxycarbonyl groups was formed in 19% yield via copper(II)-catalyzed cyclization of a linear tetrapyrrole. The reaction utilizes readily available precursors and is easily performed to provide a simple access to the functionalized corrphycene. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01025-9

文献信息

• Fischer; Halbig, Justus Liebigs Annalen der Chemie, 1926, vol. 447, p. 126,137
  作者：Fischer、Halbig

  DOI：——

  日期：——
• Fischer; Schubert, Justus Liebigs Annalen der Chemie, 1924, vol. 439, p. 192
  作者：Fischer、Schubert

  DOI：——

  日期：——
• Synthesis of functionalized corrphycene by copper(II)-promoted cyclization
  作者：Saburo Neya、Kouichi Nishinaga、Kaori Ohyama、Noriaki Funasaki

  DOI：10.1016/s0040-4039(98)01025-9

  日期：1998.7

  Corrphycene bearing two peripheral ethoxycarbonyl groups was formed in 19% yield via copper(II)-catalyzed cyclization of a linear tetrapyrrole. The reaction utilizes readily available precursors and is easily performed to provide a simple access to the functionalized corrphycene. (C) 1998 Elsevier Science Ltd. All rights reserved.