tris(2-(1,4,7,10-tetraazacyclododecyl)ethyl)amine | 488760-64-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tris(2-(1,4,7,10-tetraazacyclododecyl)ethyl)amine
• 英文别名: 2-(1,4,7,10-tetrazacyclododec-1-yl)-N,N-bis[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]ethanamine
• CAS: 488760-64-1
• 化学式: C₃₀H₆₉N₁₃
• 分子量: 611.965
• InChiKey: CURLBTFHABTFBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.2
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  121
• 氢给体数：
  9
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  zinc perchlorate 、 sodium chloride 、 tris(2-(1,4,7,10-tetraazacyclododecyl)ethyl)amine 以 甲醇 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Zn(ii) coordination to tren-based tris-macrocycles. Activity of their trinuclear Zn(ii) complexes in carboxy- and phosphate-ester hydrolysis

  摘要：

  通过在水溶液中进行电位测量，分析了两种基于 TUN 的三巨环与 Zn(II) 的结合情况。两种配体都形成了稳定的三核 Zn(II) 复合物。与 Zn(II) 配位的水分子发生去质子化反应，生成单羟基、二羟基和三羟基络合物。以对硝基苯乙酸酯和磷酸双（对硝基苯）酯（BNPP）为底物，测试了这些三核络合物作为水解剂的能力。BNPP 的裂解是通过底物与至少两种金属的桥接作用以及磷上 Zn-OH 功能的同时亲核攻击进行的。与含有 [12]aneN4 的单核 Zn(II) 复合物相比，水解速率明显提高。

  DOI：

  10.1039/b306577d
• 作为产物：
  描述：

  tris(2-(4,7,10-tris(p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecyl)ethyl)amine 在 96percent H₂SO₄ 作用下， 反应 72.0h， 生成 tris(2-(1,4,7,10-tetraazacyclododecyl)ethyl)amine
  参考文献：
  名称：

  Synthesis of New Tren-Based Tris-Macrocycles. Anion Cluster Assembling Inside the Cavity Generated by a Bowl-Shaped Receptor

  摘要：

  The synthesis of three new tris-macrocycles, containing three [12]aneN(4) (L1), [12]aneN(3)O (L2), or [14]aneN(4) (L3) moieties appended to a tren unit, is reported. The crystal structure of the [(Na(ClO4)(6))subset ofL1(2)H(13)]Na6Cl2(ClO4)(12) compound shows the anionic cluster [Na(ClO4)(6)](5-) assembled inside the cavity defined by two bowl-shaped polyammonium receptors, held by multiple charge-charge and hydrogen bond interactions.

  DOI：

  10.1021/jo020474b

文献信息

• Synthesis of New Tren-Based Tris-Macrocycles. Anion Cluster Assembling Inside the Cavity Generated by a Bowl-Shaped Receptor
  作者：Carla Bazzicalupi、Andrea Bencini、Emanuela Berni、Antonio Bianchi、Samuele Ciattini、Claudia Giorgi、Sauro Maoggi、Piero Paoletti、Barbara Valtancoli

  DOI：10.1021/jo020474b

  日期：2002.12.1

  The synthesis of three new tris-macrocycles, containing three [12]aneN(4) (L1), [12]aneN(3)O (L2), or [14]aneN(4) (L3) moieties appended to a tren unit, is reported. The crystal structure of the [(Na(ClO4)(6))subset ofL1(2)H(13)]Na6Cl2(ClO4)(12) compound shows the anionic cluster [Na(ClO4)(6)](5-) assembled inside the cavity defined by two bowl-shaped polyammonium receptors, held by multiple charge-charge and hydrogen bond interactions.
• Zn(<scp>ii</scp>) coordination to tren-based tris-macrocycles. Activity of their trinuclear Zn(<scp>ii</scp>) complexes in carboxy- and phosphate-ester hydrolysis
  作者：Carla Bazzicalupi、Andrea Bencini、Emanuela Berni、Claudia Giorgi、Sauro Maoggi、Barbara Valtancoli

  DOI：10.1039/b306577d

  日期：——

  Zn(II) binding by two tren-based tris-macrocycles has been analysed by means of potentiometric measurements in aqueous solutions. Both ligands form stable trinuclear Zn(II) complexes. Deprotonation of Zn(II)-coordinated water molecules gives mono-, di- and tri-hydroxo complexes. The ability of these trinuclear complexes as hydrolytic agents has been tested by using p-nitrophenyl acetate and bis(p-nitrophenyl) phosphate (BNPP) as substrates. BNPP cleavage takes place through a bridging interaction of the substrate with at least two metals and simultaneous nucleophilic attack of a Zn–OH function at phosphorus. A significant increase of the hydrolysis rate with respect to the mononuclear Zn(II) complex with [12]aneN4 is observed.

  通过在水溶液中进行电位测量，分析了两种基于 TUN 的三巨环与 Zn(II) 的结合情况。两种配体都形成了稳定的三核 Zn(II) 复合物。与 Zn(II) 配位的水分子发生去质子化反应，生成单羟基、二羟基和三羟基络合物。以对硝基苯乙酸酯和磷酸双（对硝基苯）酯（BNPP）为底物，测试了这些三核络合物作为水解剂的能力。BNPP 的裂解是通过底物与至少两种金属的桥接作用以及磷上 Zn-OH 功能的同时亲核攻击进行的。与含有 [12]aneN4 的单核 Zn(II) 复合物相比，水解速率明显提高。