3,7-bis(ethoxycarbonyl)-10-(9-((5-(ethoxycarbonyl)-3,4-diethyl-1H-pyrrol-2-yl)(5-(ethoxycarbonyl)-3,4-diethyl-2H-pyrrol-2-ylidene)methyl)-1,10-phenanthrolin-2-yl)-1,2,8,9-tetraethyl-5,5-difluoro-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium | 1228662-60-9

• 英文名称: 3,7-bis(ethoxycarbonyl)-10-(9-((5-(ethoxycarbonyl)-3,4-diethyl-1H-pyrrol-2-yl)(5-(ethoxycarbonyl)-3,4-diethyl-2H-pyrrol-2-ylidene)methyl)-1,10-phenanthrolin-2-yl)-1,2,8,9-tetraethyl-5,5-difluoro-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium
• CAS: 1228662-60-9
• 化学式: C₅₈H₆₇BF₂N₆O₈
• 分子量: 1025.01
• InChiKey: GMIKMQVZUWPKDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  3,4-二乙基-1H-吡咯-2-羧酸乙酯 在 三乙胺 、 三氟乙酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 1.0h， 生成 3,7-bis(ethoxycarbonyl)-10-(9-((5-(ethoxycarbonyl)-3,4-diethyl-1H-pyrrol-2-yl)(5-(ethoxycarbonyl)-3,4-diethyl-2H-pyrrol-2-ylidene)methyl)-1,10-phenanthrolin-2-yl)-1,2,8,9-tetraethyl-5,5-difluoro-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium 、 10,10'-(1,10-phenanthroline-2,9-diyl)bis(3,7-bis(ethoxycarbonyl)-1,2,8,9-tetraethyl-5,5-difluoro-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium)
  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

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.