14,34-Bis(3-chloropropyl)-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 | 500999-97-3

• 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: 14,34-Bis(3-chloropropyl)-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
• 英文别名: 14,34-bis(3-chloropropyl)-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
• CAS: 500999-97-3；442686-04-6
• 化学式: C₄₄H₅₂Cl₂N₆
• 分子量: 735.843
• InChiKey: VZMIHFWTTCHTGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  52
• 可旋转键数：
  6
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-二甲氨基吡啶 、 14,34-Bis(3-chloropropyl)-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 以 甲醇 为溶剂， 反应 24.0h， 以100%的产率得到
  参考文献：
  名称：

  Metori, Koichi; Miyake, Muneharu, Heterocycles, 2003, vol. 60, # 6, p. 1441 - 1445

  摘要：

  DOI：
• 作为产物：
  描述：

  在 TEA 、 2-氯-1,3-二甲基氯化咪唑啉 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以100%的产率得到14,34-Bis(3-chloropropyl)-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
  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

• 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.
• Metori, Koichi; Miyake, Muneharu, Heterocycles, 2003, vol. 60, # 6, p. 1441 - 1445
  作者：Metori, Koichi、Miyake, Muneharu

  DOI：——

  日期：——