benzyl 5-[[9-[bis(3,4-diethyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-1,10-phenanthrolin-2-yl]-(3,4-diethyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrole-2-carboxylate | 1228662-55-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: benzyl 5-[[9-[bis(3,4-diethyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-1,10-phenanthrolin-2-yl]-(3,4-diethyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
• CAS: 1228662-55-2
• 化学式: C₇₈H₈₀N₆O₈
• 分子量: 1229.53
• InChiKey: WSXWLSVYEGAEQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.7
• 重原子数：
  92
• 可旋转键数：
  30
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  194
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  benzyl 5-[[9-[bis(3,4-diethyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-1,10-phenanthrolin-2-yl]-(3,4-diethyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrole-2-carboxylate 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以98%的产率得到
  参考文献：
  名称：

  Phenanthroline–dipyrromethene conjugates: synthesis, characterization, and spectroscopic investigations

  摘要：

  Mono- and tri-topic ligands, based on dipyrromethenes and the 1,10-phenanthroline nucleus, as well as BF2 complexes derived thereof are described. While BODIPY 12 has been X-ray crystallographically characterized, the structural features of the free ligands 9 and 10 may render them useful as precursors for the elaboration of novel supramolecular architectures. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.07.054
• 作为产物：
  描述：

  1,10-菲啰啉-2,9-二甲醛 、 1H-吡咯-2-羧酸,3,4-二乙基-,苯基甲基酯 在 三氟乙酸 作用下， 反应 0.33h， 以65%的产率得到benzyl 5-[[9-[bis(3,4-diethyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-1,10-phenanthrolin-2-yl]-(3,4-diethyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  Phenanthroline dipyrromethene conjugates: potential building blocks for the construction of novel supramolecular architectures

  摘要：

  Novel tritopic ligands, based on dipyrromethenes and the 1,10-phenanthroline nucleus, as well as 131:2 complexes derived thereof are described. While BODIPY dyes 9-12 have been successfully prepared, the structural features of the free ligands 7 and 8 may render them useful as precursors for the elaboration of novel supramolecular architectures. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.107

文献信息

• Phenanthroline dipyrromethene conjugates: potential building blocks for the construction of novel supramolecular architectures
  作者：Antonio Garrido Montalban、Antonio J. Herrera、Jes Johannsen

  DOI：10.1016/j.tetlet.2010.03.107

  日期：2010.5

  Novel tritopic ligands, based on dipyrromethenes and the 1,10-phenanthroline nucleus, as well as 131:2 complexes derived thereof are described. While BODIPY dyes 9-12 have been successfully prepared, the structural features of the free ligands 7 and 8 may render them useful as precursors for the elaboration of novel supramolecular architectures. (C) 2010 Elsevier Ltd. All rights reserved.
• Phenanthroline–dipyrromethene conjugates: synthesis, characterization, and spectroscopic investigations
  作者：Antonio Garrido Montalban、Antonio J. Herrera、Jes Johannsen、Andrew J.P. White、David J. Williams

  DOI：10.1016/j.tet.2014.07.054

  日期：2014.10

  Mono- and tri-topic ligands, based on dipyrromethenes and the 1,10-phenanthroline nucleus, as well as BF2 complexes derived thereof are described. While BODIPY 12 has been X-ray crystallographically characterized, the structural features of the free ligands 9 and 10 may render them useful as precursors for the elaboration of novel supramolecular architectures. (C) 2014 Elsevier Ltd. All rights reserved.