2,8-bis(2-aminoethyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine | 104704-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2,8-bis(2-aminoethyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
• 英文别名: 2-[13-(2-Aminoethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-5-yl]ethanamine；2-[13-(2-aminoethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-5-yl]ethanamine
• CAS: 104704-90-7
• 化学式: C₁₉H₂₄N₄
• 分子量: 308.426
• InChiKey: SKGIYRSIOJHPBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  58.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,8-bis(2-aminoethyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine 、 6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-diylacetic acid pentafluorophenyl ester 在 2,3,5-三甲基吡啶 、 TEA 作用下， 以 二氯甲烷 为溶剂， 反应 36.0h， 生成 3,5,14,23,25,34-Hexazanonacyclo[35.3.1.17,11.117,21.127,31.03,8.05,40.020,25.023,28]tetratetraconta-1(40),7,9,11(44),17(43),18,20,27,29,31(42),37(41),38-dodecaene-13,35-dione 、 3,5,14,23,25,34-Hexazanonacyclo[35.3.1.17,11.117,21.127,31.03,8.05,40.020,25.023,28]tetratetraconta-1(40),7,9,11(44),17(43),18,20,27,29,31(42),37(41),38-dodecaene-13,35-dione
  参考文献：
  名称：

  Design and Synthesis of a Novel Cyclophane as Host for Aryl Phosphate

  摘要：

  A novel Troger base derived cyclophane bearing mercaptoimidazole groups on the alkyl chains as blanches of 6H,12H-5,11-methanodibenzo-[b,t][1,5]diazocine skeleton was synthesized in order to investigate the ability as macrocyclic enzyme models to incorporate phosphotyrosine in future.

  DOI：

  10.3987/com-01-9409
• 作为产物：
  描述：

  对氨基乙酸苯甲酯 在 lithium hydroxide 、 ammonium hydroxide 、 dimethyl sulfide borane 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 三氟乙酸 为溶剂， 反应 109.0h， 生成 2,8-bis(2-aminoethyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
  参考文献：
  名称：

  Design and Synthesis of a Novel Cyclophane as Host for Aryl Phosphate

  摘要：

  A novel Troger base derived cyclophane bearing mercaptoimidazole groups on the alkyl chains as blanches of 6H,12H-5,11-methanodibenzo-[b,t][1,5]diazocine skeleton was synthesized in order to investigate the ability as macrocyclic enzyme models to incorporate phosphotyrosine in future.

  DOI：

  10.3987/com-01-9409

文献信息

• Tröger's base analogs. New structural units for the preparation of chiral hosts and metal ligands.
  作者：Craig S. Wilcox

  DOI：10.1016/s0040-4039(00)98915-9

  日期：——
• Design and Synthesis of a Novel Cyclophane as Host for Aryl Phosphate
  作者：Muneharu Miyake、Craig S. Wilcox

  DOI：10.3987/com-01-9409

  日期：——

  A novel Troger base derived cyclophane bearing mercaptoimidazole groups on the alkyl chains as blanches of 6H,12H-5,11-methanodibenzo-[b,t][1,5]diazocine skeleton was synthesized in order to investigate the ability as macrocyclic enzyme models to incorporate phosphotyrosine in future.