1,3,5-tris(4-pyridyl)triazine | 10447-33-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3,5-tris(4-pyridyl)triazine
• 英文别名: tpt；1,3,5-tri-pyridin-4-yl-[1,3,5]triazinane；1,3,5-Tripyridin-4-yl-1,3,5-triazinane
• CAS: 10447-33-3
• 化学式: C₁₈H₁₈N₆
• 分子量: 318.381
• InChiKey: BAWNLHCERVYKGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  48.39
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  正己烷 、 1,3,5-tris(4-pyridyl)triazine 、 zinc(II) chloride 以 甲醇 、 氯仿 为溶剂， 反应 72.0h， 生成 (ZnCl₂)₃(tpt)₂*(n-hexane)
  参考文献：
  名称：

  结晶海绵法分析含氮亲核化合物的X射线结构

  摘要：

  克服恐惧恐惧症：将含N的化合物截留在结晶海绵（CS）中是有问题的，因为含N的亲核化合物会严重损害宿主。通过开发对这类化合物具有更好的耐受性和耐用性的新型CS克服了这一重大局限。CS方法的命中率提高到约80％。

  DOI：

  10.1002/chem.201704176

文献信息

• OPTIMIZED ANALYTE DERIVATIZATION FOR SYNERGISTIC APPLICATION WITH CRYSTAL SPONGE METHOD
  申请人：Merck Patent GmbH

  公开号：EP3786623A1

  公开（公告）日：2021-03-03

  The invention provides a sample preparation method (100) comprising: providing a sample (10) comprising an organic molecule (20), wherein the organic molecule (20) comprises a target group (21), wherein the target group (21) is a nucleophilic group and/or an acidic group; a derivatization stage (110) comprising: derivatizing the target group (21) of the organic molecule (20) with a moiety (31) comprising one or more of (i) a hydrocarbon comprising group and (ii) a 3rd period atom comprising group, wherein the 3rd period atom is selected from the group consisting of Si, P, and S, thereby providing a derivatized organic molecule (30); a separation stage (120) comprising: subjecting the sample (10) to a separation process to provide a fraction (35) comprising the derivatized organic molecule (30); and a preparation stage (130) comprising: introducing the derivatized organic molecule (30) into a porous single crystal (40), to provide a derivatized organic molecule doped porous single crystal (50).

  本发明提供了一种样品制备方法（100），包括：提供包含有机分子（20）的样品（10），其中有机分子（20）包含目标基团（21），其中目标基团（21）是亲核基团和/或酸性基团；衍生化阶段（110）包括：将有机分子（20）的目标基团（21）与包含以下一个或多个的分子（31）衍生化：(i) 包含碳氢化合物的基团；(ii) 包含第 3 周期原子的基团，其中第 3 周期原子选自由 Si、P 和 S 组成的组，从而提供衍生化的有机分子（30）； 分离阶段（120）包括将样品（10）置于分离过程中，以提供包含衍生化有机分子（30）的馏分（35）；以及制备阶段（130），包括：将衍生化有机分子（30）引入多孔单晶体（40）中，以提供掺杂衍生化有机分子的多孔单晶体（50）。
• [EN] OPTIMIZED ANALYTE DERIVATIZATION FOR SYNERGISTIC APPLICATION WITH CRYSTAL SPONGE METHOD<br/>[FR] DÉRIVATISATION D'ANALYTE OPTIMISÉE POUR L'APPLICATION SYNERGIQUE AVEC UN PROCÉDÉ D'ÉPONGE DE CRISTAL
  申请人：MERCK PATENT GMBH

  公开号：WO2021037362A1

  公开（公告）日：2021-03-04

  The invention provides a sample preparation method (100) comprising: providing a sample (10) comprising an organic molecule (20), wherein the organic molecule (20) comprises a target group (21), wherein the target group (21) is a nucleophilic group and/or an acidic group; a derivatization stage (110) comprising: derivatizing the target group (21) of the organic molecule (20) with a moiety (31) comprising one or more of (i) a hydrocarbon comprising group and (ii) a 3rd period atom comprising group, wherein the 3rd period atom is selected from the group consisting of Si, P, and S, thereby providing a derivatized organic molecule (30); a separation stage (120) comprising: subjecting the sample (10) to a separation process to provide a fraction (35) comprising the derivatized organic molecule (30); and a preparation stage (130) comprising: introducing the derivatized organic molecule (30) into a porous single crystal (40), to provide a derivatized organic molecule doped porous single crystal (50).
• [EN] OPTIMIZED ANALYTE DERIVATIZATION FOR SYNERGISTIC APPLICATION WITH CRYSTAL SPONGE METHOD<br/>[FR] DÉRIVATION OPTIMISÉE D'ANALYTE POUR APPLICATION SYNERGIQUE AVEC UN PROCÉDÉ D'ÉPONGE CRISTALLINE
  申请人：MERCK PATENT GMBH

  公开号：WO2021037937A1

  公开（公告）日：2021-03-04

  The invention provides a sample preparation method (100) comprising: providing a sample (10) comprising an organic molecule (20), wherein the organic molecule (20) comprises a target group (21), wherein the target group (21) is a nucleophilic group and/or an acidic group; a derivatization stage (110) comprising: derivatizing the target group (21) of the organic molecule (20) with a moiety (31) comprising one or more of (i) a hydrocarbon comprising group and (ii) a 3rd period atom comprising group, wherein the 3rd period atom is selected from the group consisting of Si, P, and S, thereby providing a derivatized organic molecule (30); a separation stage (120) comprising: subjecting the sample (10) to a separation process to provide a fraction (35) comprising the derivatized organic molecule (30); and a preparation stage (130) comprising: introducing the derivatized organic molecule (30) into a porous single crystal (40), to provide a derivatized organic molecule doped porous single crystal (50).