7,23-diethyl-14,32-dimethyl-1,7,13,17,23,29-hexaazatricyclo[27.3.1.1^13,17]tetratriaconta-14,31-diene-16,30,33,34-tetraone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 7,23-diethyl-14,32-dimethyl-1,7,13,17,23,29-hexaazatricyclo[27.3.1.1^13,17]tetratriaconta-14,31-diene-16,30,33,34-tetraone
• 英文别名: 7,23-diethyl-16,32-dimethyl-1,7,13,17,23,29-hexaazatricyclo[27.3.1.1^13,17]tetratriaconta-15,31-diene-4,30,33,34-tetraone；7,23-Diethyl-16,32-dimethyl-1,7,13,17,23,29-hexazatricyclo[27.3.1.113,17]tetratriaconta-15,31-diene-14,30,33,34-tetrone；7,23-diethyl-16,32-dimethyl-1,7,13,17,23,29-hexazatricyclo[27.3.1.113,17]tetratriaconta-15,31-diene-14,30,33,34-tetrone
• 化学式: C₃₄H₅₈N₆O₄
• 分子量: 614.872
• InChiKey: KPALGDRERGIBOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  44
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  87.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-bis(5-bromopentyl)-6-methyluracil 在 potassium carbonate 作用下， 以 异丙醇 、 乙腈 为溶剂， 反应 127.0h， 生成 7,23-diethyl-14,32-dimethyl-1,7,13,17,23,29-hexaazatricyclo[27.3.1.1^13,17]tetratriaconta-14,31-diene-16,30,33,34-tetraone
  参考文献：
  名称：

  摘要：

  The reactions of 1,3-bis(omega-bromobutyl- or -pentyl)-6-methyluracil with 1,3-bis(omega-ethyl-aminobutyl- or -pentyl)-6-methyluracil afforded pyrimidinophanes containing N atoms in bridging polymethylene chains. Individual geometric isomers of pyrimidinophanes were isolated. The structure of one of these isomers was established by X-ray diffraction analysis. Quaternization of the bridging N atoms with o-nitrobenzyl bromide gave rise to water-soluble pyrimidinophanes.

  DOI：

  10.1023/a:1025653328231

文献信息

• ——
  作者：R. Kh. Giniyatullin、A. S. Mikhailov、V. E. Semenov、V. D. Akamsin、V. S. Reznik、A. V. Chernova、G. M. Doroshkina、A. A. Nafikova、Sh. K. Latypov、Yu. Ya. Efremov、D. R. Sharafutdinova、A. T. Gubaidullin、I. A. Litvinov

  DOI：10.1023/a:1025653328231

  日期：——

  The reactions of 1,3-bis(omega-bromobutyl- or -pentyl)-6-methyluracil with 1,3-bis(omega-ethyl-aminobutyl- or -pentyl)-6-methyluracil afforded pyrimidinophanes containing N atoms in bridging polymethylene chains. Individual geometric isomers of pyrimidinophanes were isolated. The structure of one of these isomers was established by X-ray diffraction analysis. Quaternization of the bridging N atoms with o-nitrobenzyl bromide gave rise to water-soluble pyrimidinophanes.