1,13,14-triaza-dibenzo[a,j]anthracene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,13,14-triaza-dibenzo[a,j]anthracene
• 英文别名: 1,13,14-triazadibenz[a,j]anthracene；benzo[f]isoquinolino[3,4-b][1,8]naphthyridine；1,13,14-tetra-dibenz[a,j]anthracene；6,7,8-Triaza-dibenzo[a,j]anthracene；11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• 化学式: C₁₉H₁₁N₃
• 分子量: 281.316
• InChiKey: GCJKDCJHOKMULP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,13,14-triaza-dibenzo[a,j]anthracene 、 顺-双(2,2'-二吡啶基)二氯化钌(II)二水合物 、 ammonium hexafluorophosphate 在 六氟磷酸银 作用下， 以 乙二醇甲醚 为溶剂， 以82%的产率得到[Ru(L)(bpy)₂](PF₆)₂
  参考文献：
  名称：

  Synthesis and Dynamic Behavior of an Anthyridine-Ligated Ruthenium Complex

  摘要：

  A ruthenium complex containing a 1,9,10-anthyridine derivative, [Ru(L)(bpy)(2)](PF6)(2) ( [1] (PF6)(2); L = 1,13,14-triazadibenz[a,j]anthracene, bpy = 2,2'-bipyridyl), was synthesized. X-ray crystal structural analysis of [1](PF6)2 showed that L is coordinated to the Ru center as a bidentate ligand. When [1](PF6)(2) was dissolved in acetonitrile, a new complex incorporating one acetonitrile molecule, [Ru(L)(CH3CN)(bpy)(2)](PF6)(2) ([2] (PF6)(2)), was formed. X-ray crystallographic data revealed that, in [2](PF6)(2), L is coordinated to the Ru center in a monodentate fashion. The coordinated L in [2](PF6)(2) shows a unique haptotropic rearrangement in an acetonitrile solution.

  DOI：

  10.1021/ic5011743
• 作为产物：
  描述：

  3,5-二氨基吡啶 在 四(三苯基膦)钯 N-Iodosuccinamide 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 1,13,14-triaza-dibenzo[a,j]anthracene
  参考文献：
  名称：

  Extremely Strong and Readily Accessible AAA−DDD Triple Hydrogen Bond Complexes

  摘要：

  Extremely high association constants (K-a's) of up to 2 x 10(7) M-1 in CH2Cl2 at room temperature are measured for chemically stable AAA-DDD and AA-DDD complexes which feature novel and readily accessible multiple hydrogen bond acceptors.

  DOI：

  10.1021/ja067410t

文献信息

• AAA−DDD Triple Hydrogen Bond Complexes
  作者：Barry A. Blight、Amaya Camara-Campos、Smilja Djurdjevic、Martin Kaller、David A. Leigh、Fiona M. McMillan、Hamish McNab、Alexandra M. Z. Slawin

  DOI：10.1021/ja906061v

  日期：2009.10.7

  Here we report on further AA(A) and DDD partners, together with the first precise measurement of the association constant of a cationic AAA-DDD species. Complex 6*10(+)[B(3,5-(CF(3))(2)C(6)H(3))(4)(-)] has a K(a) = 3 x 10(10) M(-1) at RT in CH(2)Cl(2), by far the most strongly bound triple hydrogen bonded system measured to date. The X-ray crystal structure of 6*10(+) with a BPh(4)(-) counteranion

  实验和理论都表明，氢键受体 (A) 和供体 (D) 的 AAA-DDD 模式是三个连续氢键中心的排列，导致两个物种之间最强的关联。Murray 和 Zimmerman 准备了这样一个系统的第一个例子（复数 3*2），并确定其在 CDCl(3) 中的缔合常数 (K(a)) 的下限为 10(5) M(-1) 由（ 1) H NMR 光谱（Murray, TJ 和 Zimmerman, SCJ Am. Chem. Soc. 1992, 114, 4010-4011）。Bell 和 Anslyn (Bell, DA and Anslyn, EA Tetrahedron 1995, 51, 7161-7172) 描述了第一个阳离子 AAA-DDD 对 (3*4(+))，K(a) > 5 x 10( 5) M(-1) 在 CH(2)Cl(2) 中，由 UV-vis 光谱确定。我们最近能够使用化学稳定性更高的
• Iterative double cyclization reaction by S_RN1 mechanism. A theoretical interpretation of the regiochemical outcome of diazaheterocycles
  作者：Lucas E. Peisino、Gloria P. Camargo Solorzano、María E. Budén、A. B. Pierini

  DOI：10.1039/c5ra04563k

  日期：——

  In this report, we present a synthetic and mechanistic study of novel iterative double cyclization intramolecular SRN1 reactions from diamides bearing two aryl iodide moieties. This cyclization affords aromatic diazaheterocyclic compounds in good yields. Two synthetic strategies were employed for their preparation: intramolecular SRN1 and Homolytic Aromatic Substitution. The mechanism is non-trivial

  在这份报告中，我们提出了从带有两个芳基碘化物部分的双酰胺类化合物中进行新型迭代双环化分子内S RN 1反应的合成和机理研究。该环化以良好的产率提供芳族重氮杂环化合物。两种合成策略用于其制备：分子内S RN 1和均溶芳族取代。该机制是不平凡的，我们建议自由基是​​中间体。使用DFT方法和B3LYP功能，通过计算计算研究了区域化学。发现产物的分布取决于环化活化能，中性构象体的比例以及电子转移反应的类型。
• The synthesis and magnetic properties of a linear mixed-valence [Ni₃]⁵⁺ in an anthyridine tri-nickel complex
  作者：Chang-Lin Hsieh、Tsai-Jung Liu、You Song、Gene-Hsiang Lee、Bih-Yaw Jin、Tien-Sung Lin、Shie-Ming Peng

  DOI：10.1039/c9dt02022e

  日期：——

  (1) with a mixed-valence state was prepared by reacting the tridentate ligand 1,13,14-triaza-dibenz[a,j]anthracene (dibenzanthyridine = dbay) with anhydrous NiCl2 and sodium tetraphenylborate. The title compound provides the first example of a trinuclear nickel-anthyridine-based string complex in which the metal framework of complex 1 consists of NiII–NiI–NiII. X-ray crystallography, magnetic susceptibility

  一种新颖的三核配合物[倪3（μ 3 -dbay）4氯2 ]余3（1）配有一个混合价态的制备是通过三齿配体反应，1,13,14三氮杂-二苯并[一，Ĵ ]蒽（dibenzanthyridine = dbay）和无水NiCl 2和四苯硼酸钠。标题化合物提供了基于三核镍-蒽吡啶基的字符串络合物的第一个示例，其中络合物1的金属骨架由Ni II -Ni I -Ni II组成。进行了X射线晶体学，磁化率和详细的EPR测量，以表征这种独特复合物的结构和磁性能。
• THERMORESPONSIVE POLYMERS
  申请人：PHILLIPS 66 COMPANY

  公开号：US20180030169A1

  公开（公告）日：2018-02-01

  A polymer comprising In this polymer R1 and R4 can be independently selected from the group consisting of H and alkyl groups; R2 and R3 can be independently selected from the group consisting of H, alkyl, olefinic, aromatic, heterocyclic, halogen, ammonium, nitroxides, nitrates, nitrite amides, amines, esters, ethers, carboxylic acids, acyl chlorides, alcohols, nitriles, phosphates, phosphonates, sulfates, sulfonates, sulfide, sulfite, thiol, and combinations thereof; Y can be selected from the group consisting of O, N and S; Z can be a hydrogen bonding group that is at least triple bonded or higher and X are methylene groups.
• THERMORESPONSIVE POLYMERS FOR AQUEOUS APPLICATIONS
  申请人：PHILLILPS 66 COMPANY

  公开号：US20180029905A1

  公开（公告）日：2018-02-01

  A method of first introducing a thermoresponsive polymer with an upper critical solubility temperature into an aqueous solution. The temperature of the thermoresponsive polymer can be equal to or greater than the upper critical solubility temperature of the thermoresponsive polymer. The method then separates contaminants within the aqueous solution with the thermoresponsive polymer to form aggregates.