磷酸氢哌嗪单水合物 | 18534-18-4

• 物质功能分类: 原料药 - 抗寄生虫病药 - 驱肠虫药
• 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: 磷酸氢哌嗪单水合物
• 中文别名: 磷酸哌嗪；磷酸哌嗪水合物；磷酸氢哌嗪单水合物, 98+%
• 英文名称: H2piperazinedium hydrogenphosphate monohydrate
• 英文别名: piperazinedium hydrogenphosphate monohydrate；piperazine hydrogen phosphate monohydrate；piperazine phosphate hydrate；piperazine phosphate；monohydrate piperazinium hydrogen phosphate；phosphoric acid;piperazine;hydrate
• CAS: 18534-18-4
• 化学式: C₄H₁₀N₂*H₂O*H₃O₄P
• 分子量: 202.147
• InChiKey: PMGABIJVFLPSLS-UHFFFAOYSA-N

物化性质

• 熔点：
  >190oC (dec.)
• 溶解度：
  DMSO（微溶）、水（微溶）
• 稳定性/保质期：
  常温常压下稳定，应避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.57
• 重原子数：
  12
• 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：
  103
• 氢给体数：
  6
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933599090
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38

反应信息

• 作为反应物：
  描述：

  磷酸氢哌嗪单水合物 、 zinc(II) oxide 在 hydrochloric acid 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Exploration of a Simple Universal Route to the Myriad of Open-Framework Metal Phosphates

  摘要：

  The reaction of a single amine phosphate, piperazine phosphate, with Zn-II ions is shown to yield a variety of open-framework metal phosphate structures. It is noteworthy that the reaction of this amine phosphate with Zn-II ions yields a hierarchy of structures, including the linear chain, layer and 3-dimensional systems. Of particular interest is the isolation of the linear chain structure consisting of corner-shared four-membered rings, which has been considered to be the primary building block. By the reaction of piperazine phosphate with Co-II ions, we obtained a new strip and a layer structure. Reaction of piperazine phosphate with Sn-II yields a layer structure. The significant role of the amine phosphates in the formation of open-framework metal phosphate structures is also supported by the isolation of a monomeric four-membered zinc phosphate, which on heating transforms to an open-framework structure.

  DOI：

  10.1021/ja993892f

文献信息

• Mixed-valence phosphato–hydrogenphosphato–iron network compounds¹_∞{[C₄N₂H_11.6]_1.5[Fe^IIFe^III(PO₄)(H_0.8PO₄)₂]·H₂O} and³_∞[Fe^II₅Fe^III₂(PO₄)₂(H_0.5PO₄)₄]: structure elucidation with the help of Mössbauer spectroscopy and a caveat on X-ray diffraction
  作者：Khalid Abu-Shandi、Heiner Winkler、Michael Gerdan、Franziska Emmerling、Biao Wu、Christoph Janiak

  DOI：10.1039/b301610b

  日期：——

  from which the average protic hydrogen occupation on HPO4 and piperazinedium is calculated to be 0.8. At 4 K there is an intervalence tunneling process between part of the Fe2+ and Fe3+ atoms. Compound 1 contains linear strands of corner-sharing FeO4} and PO4} tetrahedra. The Fe atoms are bridged by Fe–O–P–O–Fe and Fe–O–Fe linkages. The strands are held together by hydrogen bonding interactions involving

  的混合价磷酸铁1 ∞ [C 4 Ñ 2 ħ 11.6 ] 1.5的[Fe II的Fe III（PO 4）（H 0.8 PO 4）2 ]·H 2 ö}（1）和3 ∞的[Fe II 5通过水热法合成了Fe III 2（PO 4）2（H 0.5 PO 4）4 ]（2）。它们的晶体结构由单晶X射线衍射 和莫斯鲍尔（Mössbauer） 光谱学。莫斯鲍尔光谱学表明化合物1中的Fe中心大部分处于被俘获的混合价+2和+3氧化作用根据该状态可以计算出HPO 4和哌嗪鎓上质子氢的平均占有率为0.8。在4 K时，部分Fe 2+和Fe 3+原子之间存在间隔隧穿过程。化合物1包含角共享FeO 4 }和PO 4 }四面体的线性链。Fe原子通过Fe – O – P – O – Fe和Fe – O – Fe键连接。这些链通过涉及哌嗪鎓和苯并the的氢键相互作用而保持在一起。水 的分子 结晶以及HPO 4基团之间的互补H键。这磷酸铁
• Correlation between Solution and the Solid State: The pH Dependent Composition in the Ternary System [Co(H2O)6]2+ or [Ni(H2O)6]2+/Piperazine/Phosphate
  作者：Emma Craven、Khalid Abu-Shandi、Christoph Janiak

  DOI：10.1002/zaac.200390031

  日期：2003.2

  selected pH values to isolate desired species from the known solution composition. Crystallization afforded [M(H2O)6]2+(C4H12N22+)(HPO42—)2 at pH 3.5 and 6.2 (M = Co, Ni), and Co3(PO4)2·8H2O at pH 10.5. No crystals with the dihydrogenphosphate anion or a metal-bound piperazine ligand could be isolated under the reaction conditions. The solid-state assembly in the isomorphous structures of [M(H2O)6](C4H12N2)(HPO4)2

  哌嗪 (C4H10N2) 和磷酸盐在氯化钴或镍或硝酸盐存在下通过电位滴定在 pH 2 和 8 之间进行了研究。电位滴定表明存在 [M2+(H2O)5(C4H11N2+)]3+和 [M2+(H2O)5(C4H10N2)]2+ 在溶液中，M = Co 的稳定性常数 logK 分别为 3.1 和 3.8，M = Ni 的稳定性常数 logK 分别为 3.1 和 3.6。然后在选定的 pH 值下进行结晶实验以从已知的溶液组合物中分离所需的物质。结晶得到 [M(H2O)6]2+(C4H12N22+)(HPO42-)2 在 pH 3.5 和 6.2 (M = Co, Ni) 和 Co3(PO4)2·8H2O 在 pH 10.5。在反应条件下不能分离出具有磷酸二氢根阴离子或金属结合的哌嗪配体的晶体。
• Amine Phosphates as Intermediates in the Formation of Open-Framework Structures
  作者：S. Neeraj、Srinivasan Natarajan、C. N. R. Rao

  DOI：10.1002/(sici)1521-3773(19991203)38:23<3480::aid-anie3480>3.0.co;2-s

  日期：——

  three-dimensional metal phosphates were obtained by the reaction of amine phosphates with metal ions under mild hydrothermal conditions. The role of amine phosphates as intermediates in hydrothermal syntheses was corroborated by in situ NMR spectroscopy and X-ray diffraction studies. The picture shows a simple corner-shared linear chain structure formed in the reaction of piperazine phosphate with Zn(II) ions

  链状，阶梯状，层状和三维金属磷酸盐是通过胺磷酸盐与金属离子在温和的水热条件下反应制得的。原位NMR光谱和X射线衍射研究证实了磷酸胺在水热合成中作为中间体的作用。该图显示了在磷酸哌嗪与Zn（II）离子的反应中形成的简单的角共享线性链结构。
• Direct in situ observation of increasing structural dimensionality during the hydrothermal formation of open-framework zinc phosphates
  作者：Richard I. Walton、Alexander J. Norquist、Dermot O’Hare、S. Neeraj、Srinivasan Natarajan、C. N. R. Rao

  DOI：10.1039/b105659j

  日期：——

  The first time-resolved in situ X-ray diffraction studies of the hydrothermal crystallisation of open-framework zinc phosphates reveal a pathway of sequential crystallisation involving formation of a metastable low dimensional chain phase before the growth of three-dimensional zeolitic architectures.

  首次实现时间分辨原位X射线衍射 开放式框架锌的水热结晶研究 磷酸盐揭示了顺序结晶的途径，涉及 在生长之前形成亚稳态低维链相 三维沸石结构。
• Exploration of a Simple Universal Route to the Myriad of Open-Framework Metal Phosphates
  作者：C. N. R. Rao、Srinivasan Natarajan、S. Neeraj

  DOI：10.1021/ja993892f

  日期：2000.3.1

  The reaction of a single amine phosphate, piperazine phosphate, with Zn-II ions is shown to yield a variety of open-framework metal phosphate structures. It is noteworthy that the reaction of this amine phosphate with Zn-II ions yields a hierarchy of structures, including the linear chain, layer and 3-dimensional systems. Of particular interest is the isolation of the linear chain structure consisting of corner-shared four-membered rings, which has been considered to be the primary building block. By the reaction of piperazine phosphate with Co-II ions, we obtained a new strip and a layer structure. Reaction of piperazine phosphate with Sn-II yields a layer structure. The significant role of the amine phosphates in the formation of open-framework metal phosphate structures is also supported by the isolation of a monomeric four-membered zinc phosphate, which on heating transforms to an open-framework structure.