4-[2-[9,10-Bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine

• 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: 4-[2-[9,10-Bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine
• 化学式: C₁₆H₁₂F₃N₄OPol
• 分子量: 1866.1
• InChiKey: IVNNDGNSPICORW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.8
• 重原子数：
  142
• 可旋转键数：
  46
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  155
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  4-[2-[9,10-Bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine 在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 2-[(7aS)-1-oxo-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-1-cyclopentylbenzimidazole-5-carboxamide
  参考文献：
  名称：

  氨基苯并咪唑系噻唑的平行合成

  摘要：

  描述了一种由市售氨基酸，胺，羧酸和α-卤代酮构建噻唑衍生的氨基苯并咪唑的多步骤方法。9-芴基甲氧基羰基保护的（Fmoc保护的）氨基酸与树脂结合的氨基苯并咪唑的偶联为利用Hantzsch环化策略构建一系列噻唑提供了必要的中间体。以中等产率分离了氨基苯并咪唑束缚的噻唑。 固相合成-氨基苯并咪唑-氨基酸-噻唑-杂环-Hantzsch环化

  DOI：

  10.1055/s-0031-1289644
• 作为产物：
  描述：

  在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 4-[2-[9,10-Bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine
  参考文献：
  名称：

  氨基苯并咪唑系噻唑的平行合成

  摘要：

  描述了一种由市售氨基酸，胺，羧酸和α-卤代酮构建噻唑衍生的氨基苯并咪唑的多步骤方法。9-芴基甲氧基羰基保护的（Fmoc保护的）氨基酸与树脂结合的氨基苯并咪唑的偶联为利用Hantzsch环化策略构建一系列噻唑提供了必要的中间体。以中等产率分离了氨基苯并咪唑束缚的噻唑。 固相合成-氨基苯并咪唑-氨基酸-噻唑-杂环-Hantzsch环化

  DOI：

  10.1055/s-0031-1289644

文献信息

• Parallel solid-phase synthesis of disubstituted 3-(1H-benzo[d]imidazol-2-yl)imidazolidine-2,4-diones and 3-(1H-benzo[d]imidazol-2-yl)-2-thioxoimidazolidin-4-ones
  作者：Sureshbabu Dadiboyena、Adel Nefzi

  DOI：10.1016/j.tetlet.2011.10.064

  日期：2011.12

  A multistep approach to construct novel 3-(1H-benzoldlimidazol-2-yl)imidazolidine-2,4-diones and 3-(1H-benzordlimidazol-2-yl)-2-thioxoimidazolidin-4-ones from commercially available amino acids, amines, and carboxylic acids is described. Coupling of Fmoc-amino acid to resin-bound aminobenzimidazole provided following Fmoc elimination free amine. Treatment of the free amine with 1,1'-carbonyldiimidazole or 1,1'-thiocarbonyldiimidazole furnished the corresponding hydantoins and thiohydantoins via intramolecular cyclization. The desired aminobenzimidazole tethered hydantoins or thiohydantoins were isolated in good yields. (C) 2011 Elsevier Ltd. All rights reserved.
• Design and Synthesis of 60° Dendritic Donor Ligands and Their Coordination-Driven Self-Assembly into Supramolecular Rhomboidal Metallodendrimers
  作者：Qing Han、Quan-Jie Li、Jiuming He、Bingjie Hu、Hongwei Tan、Zeper Abliz、Cui-Hong Wang、Yihua Yu、Hai-Bo Yang

  DOI：10.1021/jo201594u

  日期：2011.12.2

  The design and self-assembly of novel rhomboidal metallodendrimers via coordination-driven self-assembly is described. By employing newly designed 60 degrees ditopic donor linkers substituted with Frechet-type dendrons and appropriate 120 degrees rigid di-Pt(II) acceptor subunits, a variety of [G-1] [G-3] rhomboidal metallodendrimers with well-defined shape and size were prepared under mild conditions in high yields. The supramolecular metalloden-drimers were characterized with multinuclear NMR (H-1 and P-31), mass spectrometry (CSI-TOF-MS), and elemental analysis. Isotopically resolved mass spectrometry data support the existence of the metallodendrimers with rhomboidal cavities, and NMR data were consistent with the formation of all ensembles. The shape and size of all rhomboidal metallodendrimers were investigated with the PM6 semiempirical molecular orbital method.
• Parallel synthesis of structurally diverse aminobenzimidazole tethered sultams and benzothiazepinones
  作者：Sureshbabu Dadiboyena、Adel Nefzi

  DOI：10.1016/j.tetlet.2012.09.135

  日期：2012.12

  A solid-phase methodology to construct aminobenzimidazole tethered sultams and benzothiazepinones from commercial amino acids, amines, carboxylic acids, and sulfonyl chlorides is described. Coupling of Fmoc-Cys(Trt)-OH to resin-bound aminobenzimidazole scaffold provided an essential precursor for the construction of a variety of seven membered benzofused cyclic sulfonamides and thiazepinones via palladium catalyzed Buchwald-Hartwig type intramolecular cyclization. (C) 2012 Elsevier Ltd. All rights reserved.
• Parallel Synthesis of Aminobenzimidazole-Tethered Thiazoles
  作者：Adel Nefzi、Sureshbabu Dadiboyena

  DOI：10.1055/s-0031-1289644

  日期：2012.1

  acids to resin-bound aminobenzimidazoles provides essential intermediates for the construction of an array of thiazoles by utilizing the Hantzsch cyclization strategy. The aminobenzimidazole-tethered thiazoles were isolated in moderate yields. solid-phase synthesis - aminobenzimidazoles - amino acids - thiazoles - heterocycles - Hantzsch cyclization

  描述了一种由市售氨基酸，胺，羧酸和α-卤代酮构建噻唑衍生的氨基苯并咪唑的多步骤方法。9-芴基甲氧基羰基保护的（Fmoc保护的）氨基酸与树脂结合的氨基苯并咪唑的偶联为利用Hantzsch环化策略构建一系列噻唑提供了必要的中间体。以中等产率分离了氨基苯并咪唑束缚的噻唑。 固相合成-氨基苯并咪唑-氨基酸-噻唑-杂环-Hantzsch环化