1,3-bis-(4-piperidinyl)propane monohydrate | 872677-60-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,3-bis-(4-piperidinyl)propane monohydrate
• 英文别名: 4,4'-trimethylenedipiperidine hydrate；trimethylenedipiperidine monohydrate；TMDP*H2O；1,3-bis(4-piperidyl)propane monohydrate；Piperidine,1,1'-(1,3-propanediyl)bis-；4-(3-piperidin-4-ylpropyl)piperidine;hydrate
• CAS: 872677-60-6
• 化学式: C₁₃H₂₆N₂*H₂O
• 分子量: 228.378
• InChiKey: JDYRFOIGLCDZAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.33
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-bis-(4-piperidinyl)propane monohydrate 、 碘化铋 以 乙醇 为溶剂， 生成 [1,3-bis-(4-piperidinium)propane]3[Bi2I9]2
  参考文献：
  名称：

  Syntheses and crystal structures of several novel alkylammonium iodobismuthate materials containing the 1,3-bis-(4-piperidinium)propane cation

  摘要：

  The inorganic-organic salts (H2TMDP)(3)(Bi2I9)(2) (1), (H2TMDP)(2)(Bi4I16)center dot 2EtOH (2), (H2TMDP)(2)(Bi6I22)center dot 2EtOH (3), and (H2TMDP)(2)(Bi6I22) (4) were synthesized and structurally characterized from the solvothermal reaction of 1,3-bis-(4-piperidyl)propane (TMDP) and BiI3 by adjusting the relative ratio of the reactants. The anions of the compounds consist of 2 (1), 4 (2), or 6 (3 and 4) BiI6 polyhedra, which are joined by face-(1) or edge-sharing (2-4) to form discrete anions. The size of the discrete anion, in terms of the number of connected polyhedra, is observed to increase as the ratio of BiI3 to TMDP is increased. A related compound (H2TMDP)(Bi3I11) center dot (H2O) (5) was synthesized and structurally characterized using the same two reactants in the presence of HF. The anion of 5 is polymeric rather than discrete, with a trioctahedral repeat unit. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2005.09.010

文献信息

• Preparation and Characterization of Novel Inorganic−Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)
  作者：Andrea M. Goforth、Mark D. Smith、LeRoy Peterson,、Hans-Conrad zur Loye

  DOI：10.1021/ic049212d

  日期：2004.11.1

  2) and contains an edge-sharing bioctahedral mixed-halide anion in which iodide occupies one and chloride occupies two of the five crystallographically independent halide sites. The remaining two sites have mixed-chloride and -iodide occupancy. Reaction of TMDP and BiI(3) with HBr yielded the crystalline product [H(2)TMDP][BiBr(5-x)I(x)] (3, x = 0.99), which contains, in addition to the organic cation

  通过碘化铋与卤代酸HX（X = Cl或Br）和烷基胺4,4'-三亚甲基二哌啶（TMDP）的溶剂热反应合成了三种含有新型混合铋卤代阴离子的新型无机杂化有机盐。所有三种化合物的结构均通过单晶X射线衍射表征。TMDP和BiI（3）与HCl反应生成两种结晶产物：[H（2）TMDP]（2）[（Bi（2）I（9））（BiCl（2）I（2））]（1，主要收率）和[H（2）TMDP]（2）[Bi（2）Cl（10-x）I（x）]（2，x = 3.83，次要收率）。化合物1在单斜空间群Cc中结晶（a = 22.8586（11）A，b = 15.5878（7）A，c = 17.6793（9）A，beta = 118.7010（10）度，Z = 4）并且包含单核混合卤化物阴离子BiCl（2）I（2）（-）以及面部共享生物体面膜Bi（2）I（9）（3）（-）阴离子和两个独立的H（2）TMDP（2+）阳离子。BiCl
• Linking Rings through Diamines and Clusters: Exploring Synthetic Methods for Making Magnetic Quantum Gates
  作者：Marco Affronte、Ian Casson、Marco Evangelisti、Andrea Candini、Stefano Carretta、Christopher A. Muryn、Simon J. Teat、Grigore A. Timco、Wolfgang Wernsdorfer、Richard E. P. Winpenny

  DOI：10.1002/anie.200502505

  日期：2005.10.14
• Syntheses and crystal structures of several novel alkylammonium iodobismuthate materials containing the 1,3-bis-(4-piperidinium)propane cation
  作者：Andrea M. Goforth、LeRoy Peterson、Mark D. Smith、Hans-Conrad zur Loye

  DOI：10.1016/j.jssc.2005.09.010

  日期：2005.11

  The inorganic-organic salts (H2TMDP)(3)(Bi2I9)(2) (1), (H2TMDP)(2)(Bi4I16)center dot 2EtOH (2), (H2TMDP)(2)(Bi6I22)center dot 2EtOH (3), and (H2TMDP)(2)(Bi6I22) (4) were synthesized and structurally characterized from the solvothermal reaction of 1,3-bis-(4-piperidyl)propane (TMDP) and BiI3 by adjusting the relative ratio of the reactants. The anions of the compounds consist of 2 (1), 4 (2), or 6 (3 and 4) BiI6 polyhedra, which are joined by face-(1) or edge-sharing (2-4) to form discrete anions. The size of the discrete anion, in terms of the number of connected polyhedra, is observed to increase as the ratio of BiI3 to TMDP is increased. A related compound (H2TMDP)(Bi3I11) center dot (H2O) (5) was synthesized and structurally characterized using the same two reactants in the presence of HF. The anion of 5 is polymeric rather than discrete, with a trioctahedral repeat unit. (c) 2005 Elsevier Inc. All rights reserved.