1,1'-biphenyl-2,2',6,6'-tetracarboxylic acid*pyridine*MeOH | 886982-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1'-biphenyl-2,2',6,6'-tetracarboxylic acid*pyridine*MeOH
• CAS: 886982-19-0
• 化学式: CH₄O*C₅H₅N*C₁₆H₁₀O₈
• 分子量: 441.394
• InChiKey: PYUTYTSWVQPYDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  182.32
• 氢给体数：
  5.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (1,4,8,11-tetraazacyclotetradecane)nickel(II) perchlorate 、 1,1'-biphenyl-2,2',6,6'-tetracarboxylic acid*pyridine*MeOH 在 triethylamine 作用下， 以 甲醇 、 水 为溶剂， 以70%的产率得到([Ni(1,4,8,11-tetraazacyclotetradecane)]2[1,1'-biphenyl-2,2',6,6'-tetracarboxylate])n*2nH2O
  参考文献：
  名称：

  A Redox-Active Two-Dimensional Coordination Polymer:  Preparation of Silver and Gold Nanoparticles and Crystal Dynamics on Guest Removal

  摘要：

  A two-dimensional (2D) square-grid coordination polymer, {[Ni(cyclam)](2)[BPTC]}(n)-2nH(2)O (1), has been assembled from [Ni(cyclam)](CIO4)(2) (cyclam = 1,4,8,11 -tetraazacyclotetradecane) and H4BPTC (H4BPTC = 1,1'-biphenyl-2,2',6,6'-tetracarboxylic acid) in H2O/MeOH (2.51, v/v) in the presence of triethylamine. When solid 1 was immersed in the EtOH solutions of AgNO3 (1.3 x 10(-1) M) and NaAuCl4 center dot 2H(2)O (3.4 x 10(-2) M), respectively, for 5 min at room temperature, solids including Ag (3.7 +/- 0.4 nm, diameter) and Au (2 nm, diameter) nanoparticles were formed by the redox reactions between Ni(II) ions incorporated in I and metal ions, as evidenced by HRTEM images, EPR, and XPS spectra. When single-crystal 1 was heated at 180 degrees C under 10(-5) Torr for 24 h, it was transformed to dehydrated compound {[Ni(cyclam)](2)[BPTC]}(n) (2) in the single-crystal-to-single-crystal manner. The X-ray crystal structure of 2 reveals extensive dynamic motions of the molecular components in response to guest removal, involving rotation of the carboxylate and macrocycle, swing of the biphenyl, and bending of the macrocyclic coordination plane toward the carboxylate plane, which reduces the interlayer distance.

  DOI：

  10.1021/ja056963l