5,12,19-Trimethyl-2,5,7,9,12,14,16,19,21-nonazatetracyclo[16.3.0.04,8.011,15]henicosa-1(18),4(8),6,11(15),13,20-hexaene-3,10,17-trione | 1174016-78-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5,12,19-Trimethyl-2,5,7,9,12,14,16,19,21-nonazatetracyclo[16.3.0.04,8.011,15]henicosa-1(18),4(8),6,11(15),13,20-hexaene-3,10,17-trione
• 英文别名: 5,12,19-trimethyl-2,5,7,9,12,14,16,19,21-nonazatetracyclo[16.3.0.04,8.011,15]henicosa-1(18),4(8),6,11(15),13,20-hexaene-3,10,17-trione
• CAS: 1174016-78-4
• 化学式: C₁₅H₁₅N₉O₃
• 分子量: 369.343
• InChiKey: RXWOFKLUHFVLJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氨基-1-甲基-1H-咪唑-5-甲酸乙酯 在 sodium methylate 、 lithium chloride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 7.0h， 以53%的产率得到5,12,19-Trimethyl-2,5,7,9,12,14,16,19,21-nonazatetracyclo[16.3.0.04,8.011,15]henicosa-1(18),4(8),6,11(15),13,20-hexaene-3,10,17-trione
  参考文献：
  名称：

  Synthesis and characterization of a novel imidazole cyclic trimer

  摘要：

  A novel cyclic trimer of imidazole 1, in which imidazole rings are connected by amide bonds, has been synthesized with the help of LiCl as a template for the cyclization. The absorption spectra of I indicate the extension of conjugation between imidazole rings and amide bonds. The addition of 3 M equiv of MgCl2 solubilizes 1 in polar organic solvent, suggesting the chelating ability of 1 to Mg cation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.112

文献信息

• Synthesis and characterization of a novel imidazole cyclic trimer
  作者：Petty Sukarsaatmadja、Tadamichi Kumabe、Kazuki Ishida、Hidetake Seino、Yasushi Mizobe、Naoko Yoshie

  DOI：10.1016/j.tetlet.2009.04.112

  日期：2009.7

  A novel cyclic trimer of imidazole 1, in which imidazole rings are connected by amide bonds, has been synthesized with the help of LiCl as a template for the cyclization. The absorption spectra of I indicate the extension of conjugation between imidazole rings and amide bonds. The addition of 3 M equiv of MgCl2 solubilizes 1 in polar organic solvent, suggesting the chelating ability of 1 to Mg cation. (C) 2009 Elsevier Ltd. All rights reserved.