6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-lmn][1,10]phenanthroline-3,9-dione | 39588-59-5

• 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: 6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-lmn][1,10]phenanthroline-3,9-dione
• 英文别名: 6,7-Dihydro-3H-1,4-diazepino[1,2,3,4-lmn][1,10]phenanthroline-3,9(5H)-dione；1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-7,9(17),10,12(16),13-pentaene-6,15-dione
• CAS: 39588-59-5
• 化学式: C₁₅H₁₂N₂O₂
• 分子量: 252.272
• InChiKey: DOSSOLRXGGEILT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-lmn][1,10]phenanthroline-3,9-dione 在 盐酸 、 四(三苯基膦)钯 、 五氯化磷 、 sodium carbonate 、 caesium carbonate 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 122.0h， 生成 6,9,12,15,18,21-Hexaoxa-35,38-diazahexacyclo[24.8.4.22,5.222,25.029,37.032,36]dotetraconta-1(35),2(42),3,5(41),22(40),23,25(39),26(38),27,29(37),30,32(36),33-tridecaene
  参考文献：
  名称：

  Cu-tethered macrocycle catalysts: Synthesis and size-selective CO2-fixation to propargylamines under ambient conditions

  摘要：

  A novel air-stable, Cu-tethered macrocycle catalyst possessing a large inner cavity was successfully synthesized, creating a unique supramolecular catalytic system. The catalyst was utilized in the CO2-fixation reaction to propargylamines. The reaction proceeded more efficiently compared to the conventional CuI catalyst under atmospheric CO2 condition. Notably, owing to its topological effect, the Cu-tethered macrocycle catalyst exhibited unique substrate size selectivity. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2020.151966
• 作为产物：
  描述：

  邻菲罗啉 在 potassium tert-butylate 作用下， 以 甲苯 、 叔丁醇 为溶剂， 反应 18.25h， 生成 6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-lmn][1,10]phenanthroline-3,9-dione
  参考文献：
  名称：

  Cu-tethered macrocycle catalysts: Synthesis and size-selective CO2-fixation to propargylamines under ambient conditions

  摘要：

  A novel air-stable, Cu-tethered macrocycle catalyst possessing a large inner cavity was successfully synthesized, creating a unique supramolecular catalytic system. The catalyst was utilized in the CO2-fixation reaction to propargylamines. The reaction proceeded more efficiently compared to the conventional CuI catalyst under atmospheric CO2 condition. Notably, owing to its topological effect, the Cu-tethered macrocycle catalyst exhibited unique substrate size selectivity. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2020.151966

文献信息

• Towards allosteric receptors – synthesis of β-cyclodextrin-functionalised 2,2’-bipyridines and their metal complexes
  作者：Christopher Kremer、Gregor Schnakenburg、Arne Lützen

  DOI：10.3762/bjoc.10.77

  日期：——

  Herein, we present three new 2,2'-bipyridines that carry two beta-cyclodextrin moieties in different substitution patterns. When coordinated by zinc(II) or copper(I) ions (or their complexes), these compounds undergo conformational changes and switch between "open" and "closed" forms and thereby bringing together or separating the cyclodextrin moieties from each other.

  在此，我们提出了三种新的 2,2'-联吡啶，它们以不同的取代模式携带两个 β-环糊精部分。当与锌 (II) 或铜 (I) 离子（或它们的配合物）配位时，这些化合物会发生构象变化并在“开放”和“封闭”形式之间切换，从而将环糊精部分彼此结合或分离。
• Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses
  申请人：Dubreuil Didier Max

  公开号：US20100298562A1

  公开（公告）日：2010-11-25

  The present invention relates to nonlinear oligopyridazine compounds, to processes for obtaining them, to their uses, and also to their reduction to oligopyrroles and to the uses of the pyridazinylpyrrole and oligopyrrole compounds obtained. The invention relates in particular to the uses as medicaments, in particular for treating pathologies such as cancer, bacterial infections or parasitic infections, and also the uses in the materials, environmental, electronics and optics field.

  本发明涉及非线性寡吡啶化合物，以及获得它们的方法，它们的用途，以及将它们还原为寡吡咯和所获得的吡啶基吡咯和寡吡咯化合物的用途。该发明特别涉及用作药物的用途，特别是用于治疗癌症、细菌感染或寄生虫感染等病理的用途，以及在材料、环境、电子和光学领域的用途。
• Organic and Organometallic Nanofibers Formed by Supramolecular Assembly of Diamond-Shaped Macrocyclic Ligands and Pd^IIComplexes
  作者：Masumi Kuritani、Shohei Tashiro、Mitsuhiko Shionoya

  DOI：10.1002/asia.201300209

  日期：2013.7

  Stacked rings: A diamond‐shaped macrocycle with two inward phenanthroline ligands and outward long alkyl chains, and its PdII complex form organic and organometallic fibrous aggregates, respectively, as revealed by NMR, UV/Vis, AFM, and TEM measurements. The most likely structures are face‐to‐face stacked macrocycles, generating nanotubes.

  堆积环：具有两个向内菲咯啉配体和向外长烷基链的菱形大环，其Pd II配合物分别形成有机和有机金属纤维聚集体，如NMR，UV / Vis，AFM和TEM测量所揭示。最可能的结构是面对面的堆叠大环，生成纳米管。
• Ligand-Controlled Product Selectivity in Electrochemical Carbon Dioxide Reduction Using Manganese Bipyridine Catalysts
  作者：Magnus H. Rønne、Dasol Cho、Monica R. Madsen、Joakim B. Jakobsen、Seunghwan Eom、Émile Escoudé、Hans Christian D. Hammershøj、Dennis U. Nielsen、Steen U. Pedersen、Mu-Hyun Baik、Troels Skrydstrup、Kim Daasbjerg

  DOI：10.1021/jacs.9b11806

  日期：2020.3.4

  Electrocatalysis is a promising tool for utilizing carbon dioxide as a feedstock in the chemical industry. However, controlling the selectivity for different CO2 reduction products remains a major challenge. We report a series of manganese carbonyl complexes with elaborated bipyridine or phenanthroline ligands that can reduce CO2 to either formic acid, if the ligand structure contains strategically

  电催化是在化学工业中利用二氧化碳作为原料的有前途的工具。然而，控制不同 CO2 还原产物的选择性仍然是一个重大挑战。我们报告了一系列带有精心设计的联吡啶或菲咯啉配体的锰羰基配合物，如果配体结构包含战略性定位的叔胺，或 CO，如果配体中不存在胺基团或远离甲酸，它们可以将 CO2 还原为甲酸。金属中心。胺改性配合物被认为是将 CO2 还原为甲酸的最活跃的催化剂之一，在 630 mV 的过电位下，其最大转换频率高达 5500 s-1。尽管通过替代机制，转换甚至可以在低至 300 mV 的过电位下工作。从机制上讲，
• Synthesis and Characterization of a Ruthenium(II) Complex for the Development of Supramolecular Photocatalysts Containing Multidentate Coordination Spheres
  作者：Fabian L. Huber、Djawed Nauroozi、Alexander K. Mengele、Sven Rau

  DOI：10.1002/ejic.201700565

  日期：2017.9.15

  The synthesis of the new RuII bis-heteroleptic complex [(tbbpy)2Ru(dptpphz)](PF6)2 (7), that exhibits a tetradentate coordination sphere for a second metal centre, and its characterization are presented. The complex shows a similar photostability and redox properties regarding the first ligand centred reductions compared to its tpphz analogue. Concentration dependent NMR investigations were performed

  新的 RuII 双杂配配合物 [(tbbpy)2Ru(dptpphz)](PF6)2 (7) 的合成，展示了第二个金属中心的四齿配位球，并介绍了其表征。与其 tpphz 类似物相比，该复合物在第一配体中心还原方面显示出类似的光稳定性和氧化还原特性。进行了浓度相关的 NMR 研究，并且可以计算出二聚常数 (KD = 83 ± 5)，与其他 tpphz 系统相比，该常数明显较低。光物理研究揭示了两个吸电子 2-吡啶基取代基对吩嗪球体的 π-π* 跃迁的稳定作用。还观察到了典型的 H2O 引起的光开关效应。为了进一步突出四齿配位位点的潜力，