1,4-二氮杂二环[2.2.2]辛烷,氢溴化 | 25423-47-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1,4-二氮杂二环[2.2.2]辛烷,氢溴化
• 英文名称: 1,4-diazoniabicyclo[2.2.2]octane dihydrobromide
• 英文别名: 1,4-diazabicyclo[2.2.2]octane dihydrobromide；triethylenetriammonium bromide；DABCO dihydrobromide；DABCO*2HBr；dabco2HBr；1,4-diaza-bicyclo[2.2.2]octane; dihydrobromide；Azonia-4-azabicyclo[2.2.2]octane bromide；4-aza-1-azoniabicyclo[2.2.2]octane;bromide
• CAS: 25423-47-6；54581-69-0；105674-92-8
• 化学式: 2Br*C₆H₁₄N₂
• 分子量: 273.999
• InChiKey: GZCUYSKAOHTWOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-二氮杂二环[2.2.2]辛烷,氢溴化 、 三溴化铊 以 氢溴酸 为溶剂， 生成 [triethylenediammonium][TlBr5]
  参考文献：
  名称：

  hall化学中的结构多样性。第六部分†

  摘要：

  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.

  DOI：

  10.1002/hlca.200800316
• 作为产物：
  描述：

  三乙烯二胺 在 氢溴酸 作用下， 以 乙醇 、 水 为溶剂， 生成 1,4-二氮杂二环[2.2.2]辛烷,氢溴化
  参考文献：
  名称：

  1,4-二氮杂双环[2.2.2]辛烷二氢溴化物一水合物的等构脱水和压力诱导多态性的湿度控制

  摘要：

  1,4-二氮杂双环[2.2.2]辛烷二氢溴化物（dabco2HBr，[C 6 H 14 N 2 ] 2 + ·2Br –）通过吸收结构中的水分或从其结构中释放水分对湿度极为敏感。水分的逐渐变化反过来改变了晶体的对称性，尽管在环境压力下是全极性的。对于密封在高压室中的样品，已经实现了完全的含水量控制。在干燥条件下，乙醇溶液中dabco2HBr的等压结晶会生成无水dabco2HBr，在露天时，有两种多态半水合物dabco2HBr· 1 / 2 H 2 O和同构一水合物α-dabco2HBr·H 2。O; 通过在金刚石-铁砧单元中进行等温和等速结晶，获得了三个以上的一水合物dabco2HBr·H 2 O多晶型物。所有结构均已通过单晶X射线衍射原位测定。无水物dabco2HBr，其半水合物α和β以及一水合物α，β和γ均在极性空间群中结晶：Cmc 2 1（dabco2HBr，β-dabco2HBr·

  DOI：

  10.1021/cg200743n

文献信息

• Protic ionic liquids tailored by different cationic structures for efficient chemical fixation of diluted and waste CO₂ into cyclic carbonates
  作者：Wei Hui、Xiang Wang、Xiao-Ning Li、Hai-Jun Wang、Xue-Mei He、Xin-Yi Xu

  DOI：10.1039/d1nj00990g

  日期：——

  Environment-friendly approaches to directly convert atmospheric or flue gas CO₂ to high-value chemicals is of great significance yet challenging.

  将大气或烟气中的二氧化碳直接转化为高价值化学品的环保方法具有重要意义，但也具有挑战性。
• PRODUCTION PROCESS FOR FLUOROSULFONYLIMIDE AMMONIUM SALT
  申请人：Tsubokura Shiro

  公开号：US20130331609A1

  公开（公告）日：2013-12-12

  A compound [II] such as ammonium N,N-di(fluorosulfonyl)imide is obtained by reacting a compound [I] such as N,N-di(chlorosulfonyl)imide and NH 4 F (HF) p . A compound [IV] such as an N,N-di(fluorosulfonyl)imide alkali metal salt is obtained by reacting the obtained compound [II] and an alkali metal compound or the like.

  通过将化合物[I]，如N,N-二(氯磺酰)亚胺和NH4F (HF)p反应，可以得到类似氨基N,N-二(氟磺酰)亚胺的化合物[II]。通过将得到的化合物[II]与碱金属化合物等反应，可以得到类似N,N-二(氟磺酰)亚胺碱金属盐的化合物[IV]。
• Base Stable Ionic Liquids
  申请人：Earle Martyn J.

  公开号：US20090216015A1

  公开（公告）日：2009-08-27

  The present invention relates to novel base stable ionic liquids and uses thereof as solvents in chemical reactions, especially base catalysed chemical reactions and reactions comprising the use of strong basis.

  本发明涉及新型稳定碱基的离子液体及其在化学反应中的用途，特别是在碱催化化学反应和涉及强碱使用的反应中作为溶剂的用途。
• Remote halogen switch of amine hydrophilicity
  作者：Michał Andrzejewski、Anna Olejniczak、Andrzej Katrusiak

  DOI：10.1039/c2ce25401h

  日期：——

  Bromide and iodide anions switch hydrogen-bonding patterns in otherwise isostructural dimethanol solvates N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide (dabcoCH3Br·2CH3OH) and analogous iodide (dabcoCH3I·2CH3OH), both synthesized in the high-pressure version of the Menshutkin reaction at 1.2 and 2.4 GPa, respectively. The magnitudes of the high pressure triggering these reactions correspond to identical molecular volumes of both solvates.

  溴化物和碘化物阴离子在同构二甲醇溶剂化物 N-甲基-1,4-二氮杂双环[2.2.2]辛溴化物 (dabcoCH3Br·2CH3OH) 和类似的碘化物 (dabcoCH3I·2CH3OH) 中切换氢键模式，两者均在高反应条件下合成。 Menshutkin 反应的压力版本分别为 1.2 和 2.4 GPa。触发这些反应的高压的大小对应于两种溶剂化物的相同分子体积。
• Halocuprate(<scp>i</scp>) zigzag chain structures with N-methylated DABCO cations – bright metal-centered luminescence and thermally activated color shifts
  作者：Sebastian Maderlehner、Markus J. Leitl、Hartmut Yersin、Arno Pfitzner

  DOI：10.1039/c5dt02709h

  日期：——

  93(2)°, V = 1533(1) Å3, Z = 4, space group P21/n (no. 14) and 2 with a = 15.826(9) Å, b = 9.476(5) Å, c = 22.90(2) Å, β = 90.56(5)°, V = 3434(5) Å3, Z = 8, space group P21 (no. 4), respectively (lattice constants refined from powder diffraction data measured at 293 K). The cations in both compounds are formed by in situ N-methylation of DABCOH22+ cations by methanol in a SN2 reaction. Both compounds contain

  两种化合物的1,4-二甲基-1,4-二氮鎓双环[2.2.2]辛烷系列-四μ卤代dicuprate（我）与DABCOMe 2的Cu 2 X 4（1：X = Br的，2：X = I ）是通过卤化铜（I）与相应的1,4-二氮杂双环[2.2.2]辛烷（DABCO）二氢卤化物在乙腈/甲醇混合物中进行水热反应合成的。这两种化合物结晶monoclinically，1与一个= 9.169（4），b = 10.916（6），C ^ = 15.349（6）A，β = 93.93（2）°，V = 1533（1）埃3，Z = 4，空间组P 2 1 / n（编号14）和2，a = 15.826（9）Å，b = 9.476（5）Å，c = 22.90（2）Å，β = 90.56（5）° ，V = 3434（5）3，ž = 8，空间群P 2 1分别（4号），（从在293K测得的粉末衍射数据精制的晶格常数）。两种化合物中的阳离子都是通过甲醇在S