3,6,9,17,20,23-hexaazatricyclo-[23.3.1.1^11,15]-triaconta-1(29),11(30),12,14,25(26),27-hexaene | 130433-51-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,6,9,17,20,23-hexaazatricyclo-[23.3.1.1^11,15]-triaconta-1(29),11(30),12,14,25(26),27-hexaene
• 英文别名: 3,6,9,17,20,23-hexaazatricyclo[23.3.1.1^11,15]triaconta-1(29),11(30),12,14,25,27-hexaene；3,6,9,17,20,23-hexaazatricyclo[23.3.1.1(11,13)]triaconta-1(29),11(30),12,14,25(26),27-hexaene；3,6,9,17,20,23-hexaazatricyclo[23.3.1.1(11,15)]triaconta-1(29),11(30),12,14,25,26,27-hexaene；3,6,9,17,20,23-hexaazatricyclo[23.3.1.1(11,15)]-triaconta-1(29),1(30),12,14,25,27-hexaene；1,4,7,16,19,22-hexaaza[9.9]metacyclophane；3,6,9,17,20,23-Hexaazatricyclo[23.3.1.1~11,15~]triaconta-1(29),11(30),12,14,25,27-hexaene hydrobromide；3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),11(30),12,14,25,27-hexaene
• CAS: 130433-51-1
• 化学式: C₂₄H₃₈N₆
• 分子量: 410.606
• InChiKey: WRGMFSJOSUGNPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.2
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 3,6,9,17,20,23-hexaazatricyclo-[23.3.1.1^11,15]-triaconta-1(29),11(30),12,14,25(26),27-hexaene 以 乙醇 为溶剂， 以73%的产率得到[(1,4,7,16,19,22-hexaaza[9.9]metacyclophane)dinickel(II)Cl4]*0.167(NiCl2)*H2O
  参考文献：
  名称：

  大环1,4,7,16,19,22-六氮杂[9.9]甲基环（L）的双核铜（II），镍（II），钴（II）和锌（II）配合物。[Cu2LCl4] 0.5·[Cu2LCl3] ClO4·dmf的晶体结构和铜配合物催化磷酸三酯2,4-二硝基苯基二乙基磷酸酯的水解

  摘要：

  22元六氮杂大环1,4,7,16,19,22-六氮杂[9.9]甲基环糊精的铜（II），镍（II），钴（II）和锌（II）配合物（L ）已准备好并进行了特征化。已经确定了铜（II）氯配合物的晶体结构。该络合物以两种形式存在，一种形式（类型1）具有一个反转中心，其两个铜原子都基本呈正方形的金字塔立体化学结构，N 3 Cl 2供体组和Cu⋯Cu距离为5.82A。另一种形式（类型II） ）具有一个带有N 3 Cl 2供体组的方形锥体铜和一个带有N 3 Cl供体组的平面铜。II型Cu⋯Cu距离为6.13A。最好将该结构描述为[Cu 2 LCl 4] 0.5·[Cu 2 LCl 3] ClO 4·dmf（dmf = N，N-二甲基甲酰胺）。铜（II）配合物催化磷酸三酯2的水解

  DOI：

  10.1016/s0277-5387(00)00410-1
• 作为产物：
  描述：

  3,6,9,17,20,23-hexaazatricyclo{23.3.1.1(11,15)}triaconta1(29),2,9,11(30),12(13),14,16,23,25,27-decaene 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 3,6,9,17,20,23-hexaazatricyclo-[23.3.1.1^11,15]-triaconta-1(29),11(30),12,14,25(26),27-hexaene
  参考文献：
  名称：

  具有明显不同的氧化还原特性的两种结构相关的双铜配合物的固态和溶液结构

  摘要：

  由对苯甲醛与3-氮杂戊烷-1,5-二胺的2 + 2缩合反应制得的26元大环化合物L 1的双核双铜（I）配合物，已作为一种空气稳定的红橙色配合物被分离出来。屈服。[Cu 2（NCMe）2 L 1 ] [ClO 4 ] 2 [三斜晶系，空间群P，a = 10.5773（9），b = 10.8385（8），c = 7.9715（4）Å，α =的晶体结构99.572（6），β= 91.698（7），γ= 108.952（6）°]显示了两个扭曲的四面体配位铜（I）中心的Cu-Cu间距为7.04Å。[Cu 2（NCMe）2 L 1 ] 2+的空气稳定性与24元大环L 3（间苯二甲醛和3-氮杂戊烷-1的2 + 2缩合反应）的dicopper（I）配合物的氧敏感性相反。 5-二胺）导致芳族环之一的氧合。根据两种同分异构化合物之间的结构差异，讨论了显着的反应性差异，并用分子力学计算进行了分析。通过还原L衍生的24和26元大环六胺L

  DOI：

  10.1039/dt9960000533

文献信息

• Nutrient complexing compositions
  申请人：WaterScience, Inc.

  公开号：US10633298B2

  公开（公告）日：2020-04-28

  The invention provides compositions, systems and methods for controlling loss of nutrients and other substances from planting sites.

  本发明提供了控制种植地养分和其他物质流失的组合物、系统和方法。
• Binuclear Lanthanide Complexes as Catalysts for the Hydrolysis of Bis(p-nitrophenyl)-phosphate and Double-Stranded DNA
  作者：Kaliappa G. Ragunathan、Hans-Jörg Schneider

  DOI：10.1002/anie.199612191

  日期：1996.6.17
• Binuclear monofunctional platinum(II) complexes formed by hexaazamacrocyclic bisdien ligands: Crystal structure, DNA binding and cytotoxicity studies
  作者：Tuanjie Li、Hao Lin、Tao Li、Weijiang He、Yizhi Li、Yu Zhang、Yangguang Zhu、Zijian Guo

  DOI：10.1016/j.ica.2008.01.003

  日期：2009.2

  Two binuclear 3N-chelated monofunctional Pt-II complexes, [Pt(2)L1Cl(2)]Cl-2 (complex III) and [Pt(2)L2Cl(2)]Cl-2 (complex IV) [L1 = 3,6,9,16,19,22-hexaazatricyclo[22.2.2.2(11,14)]-triaconta-11,13,24,26(1), 27,29-hexaene, L2 = 3,6,9,17,20,23-hexaazatricyclo[23.3.1.1(11,15)]-triaconta-1(29), 11(30), 12,14,25,27-hexaene] have been synthesized and structurally characterized. Structural determination revealed that each Pt-II center was coordinated by one chloride anion and three N atoms from each diethylenediamine motif. The Pt-Cl bonds in complex III are shorter than those found in complex IV. The rigid para-and meta-xylylene groups make the two complexes adopt a rigid boat-like conformation and a flexible twisted chair-like conformation, respectively. Moreover, complex III has higher tendency to bind with each other than complex IV. DNA binding studies demonstrated that complex IV could bind effectively with calf thymus DNA, possibly via platination of N7 of guanine residue, while no obvious DNA binding was observed for complex III. However, complex III displays a comparable cytotoxicity to cisplatin against HeLa cell line, while compound IV does not show any effective cell inhibition at low concentration. Therefore, the rigid spacers in complexes III and IV play a determining role in their anti-cancer activity and DNA binding ability. (C) 2008 Elsevier B. V. All rights reserved.
• Tunable and white luminescence from mixed lanthanide with aza-macrocycles through multistimuli responses
  作者：Fei-Yan Yi、Shicheng Wang、Minli Gu、Mengke Wu、Lu-Qing Pan、Jia-Qi Zheng、Lingjun Hu、Lei Han

  DOI：10.1016/j.poly.2017.12.031

  日期：2018.4

  In this work, two aza-macrocycles (1 and 2) were designedly synthesized as hosts for sensitizing lanthanide luminescence in aqueous solution to explore new light emitting material. It is expected that macrocycle molecules can encapsulate lanthanide centers into their cavity to form new lanthanide fluorescent materials based on their excellent host-guest binding abilities. In addition, macrocycle molecules are blue emitters, so it will be possible to construct white light-emitting and color-tunable materials through the doping of both Tb3+ ions and Eu3+ ions into aza-macrocycle hosts with an appropriate molar ratio. All of experimental results verify that aza-macrocycle based lanthanide materials realized tunable luminescence and white light emissions through changing relative concentration (Tb/Eu = 1:0, 1:1, 1:2, 1:4, 1:6, 1:8, 0:1) of the constituent Ln(3+) ions and the excitation wavelength from 351 nm to 395 nm. As far as we know, it is very rare that the color-tunable and white-light emission can be controlled by two types of strategies and on the basis of macrocycle hosts. (C) 2018 Elsevier Ltd. All rights reserved.
• Zhu, Hai-Liang; Zheng, Li-Min; Fu, De-Gang, Inorganica Chimica Acta, 1999, vol. 287, # 1, p. 52 - 60
  作者：Zhu, Hai-Liang、Zheng, Li-Min、Fu, De-Gang、Huang, Pei、Bu, Wei-Ming、Tang, Wen-Xia

  DOI：——

  日期：——