1,3,5-三(异烟酸)苯 | 1239246-82-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 1,3,5-三(异烟酸)苯
• 英文名称: benzene 1,3,5-triyltriisonicotinate
• 英文别名: phenyl-1,3,5-tris(isonicotinate)；Benzene-1,3,5-triyl triisonicotinate；[3,5-bis(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
• CAS: 1239246-82-2
• 化学式: C₂₄H₁₅N₃O₆
• 分子量: 441.4
• InChiKey: DGRPQJPARZFUQW-UHFFFAOYSA-N

物化性质

• 熔点：
  175 °C (decomp)
• 沸点：
  666.3±55.0 °C(Predicted)
• 密度：
  1.382±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  copper(l) iodide 、 1,3,5-三(异烟酸)苯 以 氯仿 、 乙腈 为溶剂， 反应 0.75h， 以96%的产率得到Cu₂I₂(benzene 1,3,5-triyltriisonicotinate)
  参考文献：
  名称：

  从均相到均相催化的氧磺酰叠氮化物，炔烃和胺类三组分偶联

  摘要：

  已经开发了可靠的合成氧磺酰叠氮化物的方法，并将其应用于由CuI均匀催化的叠氮化物，炔烃和胺的三组分偶联反应，这导致了N-氧磺酰am的形成，收率很高。为了充分评估对该偶联反应的催化活性，有两个配位框架，即无微孔的Cu 2 I 2（PDIN）和有微孔的Cu 2 I 2（BTTP4）（PDIN = 1,4-亚苯基二异烟酸酯，BTTP4 =苯- 1,3,5-三基三异烟酸）是通过简单的一锅反应制备的非均相催化剂。催化结果表明，无孔Cu 2 I 2（PDIN）对三组分偶联反应几乎没有活性，而微孔Cu 2 I 2（BTTP4）是合成N-氧磺酰基am的有效多相催化剂。此外，相对于炔烃基质，多孔Cu 2 I 2（BTTP4）表现出择形性能，并且芳族炔烃优于脂族炔烃。通过一系列物理技术研究了Cu 2 I 2（BTTP4）框架中催化活性位的位置，包括粉末XRD，CO 2 气体吸附，红外光谱，能量色散X射线分析和

  DOI：

  10.1002/cctc.201300241

文献信息

• One-pot synthesis of oxamidato-bridged hexarhenium trigonal prisms adorned with ester functionality
  作者：R. Nagarajaprakash、R. Govindarajan、Bala. Manimaran

  DOI：10.1039/c5dt01102g

  日期：——

  The self-assembly of hexarhenium trigonal prisms using fac-Re(CO)₃ cores (pink), bischelating oxamide ligands (green) and ester-containing tritopic linkers (blue) has been accomplished via an orthogonal bonding approach.

  六铼三角柱体的自组装使用fac-Re(CO)3核心（粉红色）、双螯合草酰胺配体（绿色）和含酯三功能连接剂（蓝色）已经通过正交键合方法完成。
• Submicrosticks versus Submicrohelices by Sonication – Assembly of PdCl ₂ Nanoparticles on Those Morphologies
  作者：Tae Hwan Noh、Shin A Kim、Su Yeon Lee、Ok‐Sang Jung

  DOI：10.1002/ejic.200900698

  日期：2009.10

  unprecedented modulation of submicrohelix versus submicrostick morphologies by sonication has been systematically carried out on new propeller-type tri-O-isonicotinoylphloroglucinol. The formation and control of uniform submicrohelix and submicrostick morphologies show subtle external sonication media effects. The first control of submicrohelices versus submicrosticks by sonication without any additive or template

  在新型螺旋桨型三-O-异烟酰间苯三酚上，系统地进行了超声处理对亚微螺旋与亚微棒形态的前所未有的调节。均匀亚微螺旋和亚微棒形态的形成和控制显示出微妙的外部超声介质效应。在没有任何添加剂或模板的情况下，通过超声处理对亚微螺旋与亚微棒的第一次控制似乎是构象异构体的函数。将 PdCl2 纳米粒子从 K2PdCl4 轻松加载到形态上是一种概念上先进的纳米粒子 - 亚微形态相互作用方法。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
• Post-synthetic modification of isomorphic coordination layers: exchange dynamics of metal ions in a single crystal to single crystal fashion
  作者：Gargi Mukherjee、Kumar Biradha

  DOI：10.1039/c2cc30983a

  日期：——

  A diverse set of guest molecules template the consistent formation of fifteen iso-structural layered structures containing a pyridine based tripodal ligand, divalent metal ions and anions. These materials have shown a remarkable ability to interconvert from Zn(II) to Cu(II), Cd(II) to Cu(II), Cu(II) to Cd(II) complexes in a SCSC (single crystal-to-single crystal) fashion.

  一系列不同的客体分子模板一致地形成了 15 个等结构层状结构，其中包含一个基于吡啶的三足配体、二价金属离子和阴离子。这些材料以 SCSC（单晶到单晶）的方式显示了从 Zn(II)到 Cu(II)、Cd(II)到 Cu(II)、Cu(II)到 Cd(II)复合物相互转化的卓越能力。
• SINGLE CRYSTAL OF POROUS COMPOUND, METHOD FOR ASSESSING QUALITY OF SINGLE CRYSTAL, METHOD FOR PREPARING SOLUTION INCLUDING COMPOUND TO BE ANALYZED, METHOD FOR PRODUCING CRYSTAL STRUCTURE ANALYSIS SAMPLE, AND METHOD FOR DETERMINING MOLECULAR STRUCTURE OF COMPOUND TO BE ANALYZED
  申请人：The University of Tokyo

  公开号：EP3269849A1

  公开（公告）日：2018-01-17

  The present invention provides a single crystal of a porous compound, the single crystal being used to produce a crystal structure analysis sample for a compound to be analyzed by contacting the single crystal of the porous compound having a three-dimensional framework and three-dimensionally regularly-arranged pores and/or hollows formed by being divided by the three-dimensional framework with a solution that includes the compound to be analyzed, and arranging molecules of the compound to be analyzed in a regular array in the pores and/or hollows. The single crystal of the porous compound are characterized in that: one side of the single crystal is 10 to 2000 µm; and the single crystal maintains monocrystalline properties even after the single crystal is placed in contact with a solvent that is chemically the same as the solvent of the solution that includes the compound to be analyzed.

  本发明提供了一种多孔化合物单晶体，该单晶体用于生产待分析化合物的晶体结构分析样品，该多孔化合物单晶体具有三维框架和由三维框架分割形成的三维规则排列的孔隙和/或空洞，将该单晶体与包含待分析化合物的溶液接触，并在孔隙和/或空洞中规则排列待分析化合物的分子。多孔化合物单晶体的特征在于：单晶体的一面为 10 至 2000 微米；单晶体与溶剂接触后仍保持单晶特性，该溶剂的化学性质与待分析化合物溶液的溶剂相同。
• Single crystal of porous compound, method for assessing quality of single crystal, method for preparing solution including compound to be analyzed, method for producing crystal structure analysis sample, and method for determining molecular structure of compound to be analyzed
  申请人：The University of Tokyo

  公开号：US10487420B2

  公开（公告）日：2019-11-26

  The present invention provides a single crystal of a porous compound, the single crystal being used to produce a crystal structure analysis sample for a compound to be analyzed by contacting the single crystal of the porous compound having a three-dimensional framework and three-dimensionally regularly-arranged pores and/or hollows formed by being divided by the three-dimensional framework with a solution that includes the compound to be analyzed, and arranging molecules of the compound to be analyzed in a regular array in the pores and/or hollows. The single crystal of the porous compound are characterized in that: one side of the single crystal is 10 to 2000 μm; and the single crystal maintains monocrystalline properties even after the single crystal is placed in contact with a solvent that is chemically the same as the solvent of the solution that includes the compound to be analyzed.

  本发明提供了一种多孔化合物的单晶体，该单晶体用于制备待分析化合物的晶体结构分析样品，该多孔化合物的单晶体具有三维框架和由三维框架分割形成的三维规则排列的孔隙和/或空洞，将该单晶体与包含待分析化合物的溶液接触，并在孔隙和/或空洞中将待分析化合物的分子规则排列。多孔化合物单晶体的特征在于：单晶体的一面为 10 至 2000 μm；即使在单晶体与溶剂接触后，单晶体仍保持单晶特性，该溶剂的化学性质与包含待分析化合物的溶液的溶剂相同。