1,5-diazabicyclo[4.3.0]non-5-enium bromide | 1004554-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 1,5-diazabicyclo[4.3.0]non-5-enium bromide
• 英文别名: HDBNBr；3,4,5,6,7,8-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-5-ium;bromide
• CAS: 1004554-80-6
• 化学式: BrH*C₇H₁₂N₂
• 分子量: 205.098
• InChiKey: VPFVXMRIIQLACQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.46
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  15.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,5-diazabicyclo[4.3.0]non-5-enium bromide 在 amberlite IRA 400 (OH(-)) 作用下， 以 甲醇 为溶剂， 以70.2 mg的产率得到1,5-二氮杂双环[4.3.0]壬-5-烯
  参考文献：
  名称：

  通过分子内环化有效合成双环am。

  摘要：

  DOI：

  10.1002/anie.200352750
• 作为产物：
  描述：

  1,5-二氮杂双环[4.3.0]壬-5-烯 在 氢溴酸 作用下， 以 水 为溶剂， 反应 24.0h， 生成 1,5-diazabicyclo[4.3.0]non-5-enium bromide
  参考文献：
  名称：

  质子离子液体催化CO2和甘油常压合成碳酸甘油酯

  摘要：

  管理温室气体二氧化碳 (CO 2 ) 和剩余工业产品甘油 (Gly) 的理想策略是将它们转化为有价值的碳酸甘油酯 (GC)。然而，传统的转化过程依赖于高CO 2压力和反应温度。在这项工作中，研究了一系列易于制备的质子离子液体 (ILs) 用于使用 CO 2的一锅法合成气相色谱。、甘氨酸和氧化苯乙烯 (SO)。1,8-二氮杂双环[5.4.0]undec-7-enenium iodide (HDBUI) 在大气压和 45 °C 的催化下获得 94% 的 GC 产率。实验结果和密度泛函理论 (DFT) 计算表明，HDBUI 的高催化活性归因于质子 HDBU +阳离子和 I -阴离子的协同作用所提供的强亲核性和底物活化。此外，当使用模拟烟气和粗 Gly 作为底物时，也获得了高 GC 产率。

  DOI：

  10.1039/d2gc02674k

文献信息

• Super-base-derived hypergolic ionic fuels with remarkably improved thermal stability
  作者：Wenquan Zhang、Xiujuan Qi、Shi Huang、Jinshan Li、Qinghua Zhang

  DOI：10.1039/c5ta05559h

  日期：——

  Two series of super-base-derived hypergolic ionic liquids were synthesized, which all exhibit good hydrolytic stability to heat and expected hypergolic properties upon contact with WFNA.

  合成了两系列超碱基衍生的高超沸离子液体，它们在接触WFNA时表现出预期的高超沸性质，并具有良好的耐热水解稳定性。
• IONIC COMPOUND
  申请人：Nichicon Corporation

  公开号：EP2048131A1

  公开（公告）日：2009-04-15

  The present invention provides an ionic compound which: can exert excellent basic performance such as excellent electrochemical stability including an excellent ionic conductivity; is excellent in pH stability; and can suitably find use in a variety of applications, and an electrolyte material, an electrolytic solution, and an electrolytic capacitor each containing the ionic compound. An ionic compound of the present invention has an anion represented by a general formula (1) and a cation represented by a general formula (2): where X represents an element selected from B, C, N, O, Al, Si, P, S, As, and Se, M1 and M2 represent linking groups, Q represents a monovalent element or organic group, a represents an integer of 1 or more, and b, c, d, and e each represent an integer of 0 or more;         [Chem.2] R2-LH⊕     (2) where L represents an element selected from C, Si, N, P, S, and O, R represents a monovalent element, functional group, or organic group, and s represents an integer of 2, 3, or 4.

  本发明提供了一种离子化合物，它能够发挥优异的基本性能，例如优异的电化学稳定性，包括优异的离子电导率；具有优异的pH稳定性；并可在各种应用中适当使用；还提供了一种电解质材料、一种电解溶液和一种电解电容器，它们都含有该离子化合物。 本发明的离子化合物具有通式（1）表示的阴离子和通式（2）表示的阳离子： 其中 X 代表选自 B、C、N、O、Al、Si、P、S、As 和 Se 的元素，M1 和 M2 代表连接基团，Q 代表一价元素或有机基团，a 代表 1 或以上的整数，b、c、d 和 e 各代表 0 或以上的整数； [Chem.2] R2-LH⊕ (2) 其中 L 代表选自 C、Si、N、P、S 和 O 的元素，R 代表一价元素、官能团或有机基团，s 代表 2、3 或 4 的整数。
• Structural Diversity in Thallium Chemistry. Part VI
  作者：Anthony Linden、Alexander Petridis、Bruce D. James

  DOI：10.1002/hlca.200800316

  日期：2009.1

  Abstractmagnified imageNew bromothallate(III) complexes have been synthesized using eleven organoammonium cations related to others employed previously. The crystal structure determinations of eight of these have been performed. The diethylenetriammonium cation yields the first compound containing [TlBr6]3− as the only anionic species, while the N,N,N′,N″,N″‐pentamethyldiethylenetriammonium cation gave a mixed salt containing discrete [TlBr4]− and Br− ions, in which the [TlBr4]− unit does not participate in hydrogen bonding. In the pyrazolinium mixed salt, both the [TlBr4]− and Br− ions are hydrogen‐bonded to cations and disposed in an arrangement similar to a [Tl2Br9]3− unit. The triethylenediammonium dication gives a compound in which a highly distorted trigonal bipyramidal [TlBr5]2− system is present, while the 1‐benzylpiperazinium compound also shows a very weak [TlBr4]− and Br− interaction. Six other monovalent cations provided [TlBr4]− derivatives that were characterized either crystallographically or via their Raman spectra. In a comprehensive structural summary, the various interactions between cations and bromothallate(III) anionic groupings, giving rise to the structural diversity described in this and previous reports, are discussed in terms of the cation charge, quaternization and steric influence, NH⋅⋅⋅Br hydrogen bonding, and secondary bonds present in the compounds.
• US5985875A
  申请人：——

  公开号：US5985875A

  公开（公告）日：1999-11-16
• US8273263B2
  申请人：——

  公开号：US8273263B2

  公开（公告）日：2012-09-25