(cyclopropylamine)H(1+) | 72507-71-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (cyclopropylamine)H(1+)
• 英文别名: cyclopropylammonium；Cyclopropylazanium
• CAS: 72507-71-2
• 化学式: C₃H₈N
• 分子量: 58.1032
• InChiKey: HTJDQJBWANPRPF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  indium(III) oxide 、 氢溴酸 、 (cyclopropylamine)H(1+) 以 水 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Reversible phase transition, switchable dielectric response in In(III)‐based organic–inorganic hybrid compound: [C ₃ H ₈ N] ₃ InBr ₆

  摘要：

  Cyclic organic ammoniums have been regarded as the suitable organic components for constructing the organic–inorganic hybrid phase transition materials because they have flexible cyclic structure. Here, an In‐based organic–inorganic hybrid compound, [C3H8N]3InBr6 (1; C3H8N+ is cyclopropylammonium), has been successfully synthesized. It is noteworthy that 1 experiences an invertible phase transition at 298 K (Tc), as certified by DSC measurement. Moreover, single‐crystal X‐ray diffraction determines that 1 crystallized in the monoclinic space group C2/m at 330 K and in the monoclinic space group C2/c at 240 K. Further analyses indicate that the structural phase transition is ascribed to the disorder–order changes of the cyclopropylammonium cations. And an obvious step‐like dielectric anomaly in the vicinity of the Tc is detected. This work will pave the way to the exploration and design of In‐based organic–inorganic hybrid phase transition materials.

  DOI：

  10.1002/aoc.6354
• 作为产物：
  描述：

  顺式-二氯二(环丙胺)铂(II) 以 水 为溶剂， 生成 cis-{bis(cyclopropylamine)platinum(II)(H2O)2}(NO3)2 、 (cyclopropylamine)H(1+)
  参考文献：
  名称：

  顺式-双（环丙胺）双（1-甲基胸腺嘧啶-N3）-二水合铂（II），顺式-（cpa）2Pt（1-MeT）2·2H2O的X射线结构及与'铂胸腺嘧啶紫有关的化学性质'

  摘要：

  摘要报道了顺式-（cpa）2Pt（1-MeT）2·2H2O（1）的晶体结构，其中cpa =环丙胺和1-MeT = 1-甲基胸腺嘧啶阴离子（C6H7N2O2），在单斜晶系空间中结晶1 P21 / c组，a = 10.645（2），b = 14.878（3），c = 15.535（3）A，β= 106.44（3）/ dg，V = 2359.8 A3，Z = 4 1-MeT环穿过N3，每个环带有两个1-MeT环。因此，可以认为1通过顺式-a2Pt（II）部分假设的两个DNA胸腺嘧啶碱基的交联的现实模型。如1 H NMR光谱所示，1在酸性介质中会失去cpa和1-MeT配体。同样，顺式-（cpa）2PtCl2在水溶液中发生溶剂分解并释放出cpa。从1开始，组成为顺式[[cpa）2Pt（1-MeT）2Pt（NH3）2] 2+（2）的双核复合物，

  DOI：

  10.1016/s0020-1693(00)83946-8

文献信息

• Proton affinities and photoelectron spectra of three-membered-ring heterocycles
  作者：Donald H. Aue、Hugh M. Webb、William R. Davidson、Mariano Vidal、Michael T. Bowers、Harold Goldwhite、Lawrence E. Vertal、John E. Douglas、Peter A. Kollman、George L. Kenyon

  DOI：10.1021/ja00536a004

  日期：1980.7
• The x-ray structure of cis-bis(cyclopropylamine)bis(1-methylthyminato-N3)-platinum(II) dihydrate, cis-(cpa)2Pt(1-MeT)2·2H2O, and chemistry related to ‘platinum thymine purple’
  作者：Oliver Renn、Bernhard Lippert、Helmut Schöllhorn、Ulf Thewalt

  DOI：10.1016/s0020-1693(00)83946-8

  日期：1990.1

  cross-link of two thymine bases of DNA by a cis-a2Pt(II) moiety. As shown by 1H NMR spectroscopy, 1 loses both cpa and 1-MeT ligands in acidic medium. Likewise, cis-(cpa)2PtCl2 undergoes solvolysis in aqueous solution with liberation of cpa. Starting with 1, dinuclear complexes of composition cis-[(cpa)2Pt(1-MeT)2Pt(NH3)2]2+ (2), cis-[(cpa)2Pt(1-MeT)2Pt(cpa)2]2+ (3) and cis-(cpa)2Pt(1-MeT2PtCl2 (4)

  摘要报道了顺式-（cpa）2Pt（1-MeT）2·2H2O（1）的晶体结构，其中cpa =环丙胺和1-MeT = 1-甲基胸腺嘧啶阴离子（C6H7N2O2），在单斜晶系空间中结晶1 P21 / c组，a = 10.645（2），b = 14.878（3），c = 15.535（3）A，β= 106.44（3）/ dg，V = 2359.8 A3，Z = 4 1-MeT环穿过N3，每个环带有两个1-MeT环。因此，可以认为1通过顺式-a2Pt（II）部分假设的两个DNA胸腺嘧啶碱基的交联的现实模型。如1 H NMR光谱所示，1在酸性介质中会失去cpa和1-MeT配体。同样，顺式-（cpa）2PtCl2在水溶液中发生溶剂分解并释放出cpa。从1开始，组成为顺式[[cpa）2Pt（1-MeT）2Pt（NH3）2] 2+（2）的双核复合物，
• Reversible phase transition, switchable dielectric response in In(III)‐based organic–inorganic hybrid compound: [C ₃ H ₈ N] ₃ InBr ₆
  作者：Yin‐Qiang Zhang、Min Li、Guan‐Cheng Xu

  DOI：10.1002/aoc.6354

  日期：2021.10

  Cyclic organic ammoniums have been regarded as the suitable organic components for constructing the organic–inorganic hybrid phase transition materials because they have flexible cyclic structure. Here, an In‐based organic–inorganic hybrid compound, [C3H8N]3InBr6 (1; C3H8N+ is cyclopropylammonium), has been successfully synthesized. It is noteworthy that 1 experiences an invertible phase transition at 298 K (Tc), as certified by DSC measurement. Moreover, single‐crystal X‐ray diffraction determines that 1 crystallized in the monoclinic space group C2/m at 330 K and in the monoclinic space group C2/c at 240 K. Further analyses indicate that the structural phase transition is ascribed to the disorder–order changes of the cyclopropylammonium cations. And an obvious step‐like dielectric anomaly in the vicinity of the Tc is detected. This work will pave the way to the exploration and design of In‐based organic–inorganic hybrid phase transition materials.