1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-2H-phenanthro[9,10-c]pyrrole-3-carboxylic acid | 793696-67-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-2H-phenanthro[9,10-c]pyrrole-3-carboxylic acid
• CAS: 793696-67-0
• 化学式: C₂₆H₂₂N₂O₄
• 分子量: 426.472
• InChiKey: IJIZWIBWAXXDCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  106
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-2H-phenanthro[9,10-c]pyrrole-3-carboxylic acid 、 4,4'-diethyl-3,3'-dimethyl-5,5'-methanediyl-bis-pyrrole-2-carbaldehyde 在 氢气 作用下， 以29%的产率得到7,13,17-triethyl-8,12,18-trimethylphenanthro[9,10-b]porphyrin
  参考文献：
  名称：

  New highly conjugated porphyrin chromophores: Synthesis of mono- and diphenanthroporphyrins

  摘要：

  Porphyrins with one or two fused phenanthrene subunits have been prepared from phenanthro[9,10-c]pyrroles, which are in turn easily prepared from 9-nitrophenanthrene.

  DOI：

  10.1016/0040-4039(95)00818-w
• 作为产物：
  描述：

  3-(5-Benzyloxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-ylmethyl)-2H-dibenzo[e,g]isoindole-1-carboxylic acid benzyl ester 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 乙醇 为溶剂， 生成 1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-2H-phenanthro[9,10-c]pyrrole-3-carboxylic acid
  参考文献：
  名称：

  New highly conjugated porphyrin chromophores: Synthesis of mono- and diphenanthroporphyrins

  摘要：

  Porphyrins with one or two fused phenanthrene subunits have been prepared from phenanthro[9,10-c]pyrroles, which are in turn easily prepared from 9-nitrophenanthrene.

  DOI：

  10.1016/0040-4039(95)00818-w

文献信息

• New highly conjugated porphyrin chromophores: Synthesis of mono- and diphenanthroporphyrins
  作者：Timothy D. Lash、Bennett H. Novak

  DOI：10.1016/0040-4039(95)00818-w

  日期：1995.6

  Porphyrins with one or two fused phenanthrene subunits have been prepared from phenanthro[9,10-c]pyrroles, which are in turn easily prepared from 9-nitrophenanthrene.