N,N,N',N',N'',N''-tris[(4-carboxylate-2-yl)methyl]-tris(2-aminoethyl)amine hydrochloride | 1147104-17-3

• 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: N,N,N',N',N'',N''-tris[(4-carboxylate-2-yl)methyl]-tris(2-aminoethyl)amine hydrochloride
• CAS: 1147104-17-3
• 化学式: C₃₀H₃₆N₄O₆*ClH
• 分子量: 585.1
• InChiKey: RLKULSWIFGQYEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  41.0
• 可旋转键数：
  18.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  151.23
• 氢给体数：
  6.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  sodium hydroxide 、 zinc(II) nitrate hexahydrate 、 N,N,N',N',N'',N''-tris[(4-carboxylate-2-yl)methyl]-tris(2-aminoethyl)amine hydrochloride 以 水 为溶剂， 以51%的产率得到[Zn5(trencba)2(μ2-OH)2Cl2]*4H2O
  参考文献：
  名称：

  A 3D porous zinc MOF constructed from a flexible tripodal ligand: Synthesis, structure, and photoluminescence property

  摘要：

  A new metal-organic framework, [Zn-5(trencba)(2)(OH)(2)Cl-2 center dot 4H(2)O] (1) [H(3)trencba = N,N,N',N',N",N" -trisf(4-carboxylate-2-yl)methyl]-tris(2-aminoethyl)amine], constructed from a flexible tripodal ligand based on C-3 symmetric tris(2-aminoethyl)amine, has been synthesized hydrothermally and characterized by elemental analysis. IR, TG, XRD and single-crystal X-ray diffraction analysis. Compound I contains an unprecedented linear penta-nuclear zinc cluster fragment. Each ligand links four penta-nuclear fragments, and every fragment links eight ligands to generate a three-dimensional non-interpenetrated porous framework. The uncoordinated water molecules were observed trapped in the void pores. Compound I represents the first example of (6,8)-connected 3D bi-nodal framework based on a single kind of organic ligand. The photoluminescence measurements showed that complex I exhibits relatively stronger blue emissions at room temperature than that of the ligand. (C) 2008 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2008.11.031