tris(2-(4,7,10-tris(p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecyl)ethyl)amine

• 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: tris(2-(4,7,10-tris(p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecyl)ethyl)amine
• 英文别名: 2-[4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododec-1-yl]-N,N-bis[2-[4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododec-1-yl]ethyl]ethanamine
• 化学式: C₉₃H₁₂₃N₁₃O₁₈S₉
• 分子量: 1999.67
• InChiKey: LSFZPPLFBNGZKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  133
• 可旋转键数：
  27
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  425
• 氢给体数：
  0
• 氢受体数：
  31

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  N,N-双[2-(对甲苯磺酰氧基)乙基]-对甲苯磺酰胺 、 N,N',N'',N''',N'''',N'''''-(((nitrilotris(ethane-2,1-diyl))tris(azanetriyl))hexakis(ethane-2,1-diyl))hexakis(4-methylbenzenesulfonamide) 在 sodium ethanolate 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.5h， 生成 tris(2-(4,7,10-tris(p-toluenesulfonyl)-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.