1,3-dimethyluracil-6-yl-cyclen | 1215225-03-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3-dimethyluracil-6-yl-cyclen
• 英文别名: 1,3-Dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)pyrimidine-2,4-dione；1,3-dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)pyrimidine-2,4-dione
• CAS: 1215225-03-8
• 化学式: C₁₄H₂₆N₆O₂
• 分子量: 310.399
• InChiKey: FYZFKUVYNGJMAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  80
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-氯-1,3-二甲基脲嘧啶 、 轮环藤宁 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以41.5%的产率得到1,3-dimethyluracil-6-yl-cyclen
  参考文献：
  名称：

  Preparation and reaction of uracil substituted cyclen and cyclam: formation of tricyclic guanidinium and dihydroimidazolium salts

  摘要：

  Di-urcil substituted cyclen derivatives were prepared by the reaction of cyclen with 6-chloro-1-methyluracil or 6-chloro-1,3-dimethyluracil The reaction of cyclam with 6-chloro-1,3-dimethyluracil gave a similar di-uracil substituted cyclam. The 1,7 di-uracil substituted cyclen was converted to the tricyclic guanidinium salt and acylurea upon heating in DMSO in the presence of weak acid. The 1,8-di-uracil Substituted cyclam gave a tricyclic dihydrioimidazolium Salt Under the same conditions These reactions can be explained by an intramolecular Uracil ring-breaking reaction mechanism (C) 2009 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2009.12.038

文献信息

• Preparation and reaction of uracil substituted cyclen and cyclam: formation of tricyclic guanidinium and dihydroimidazolium salts
  作者：Soichiro Watanabe、Ayako Komori、Masayuki Saito、Akira Uchida

  DOI：10.1016/j.tet.2009.12.038

  日期：2010.2

  Di-urcil substituted cyclen derivatives were prepared by the reaction of cyclen with 6-chloro-1-methyluracil or 6-chloro-1,3-dimethyluracil The reaction of cyclam with 6-chloro-1,3-dimethyluracil gave a similar di-uracil substituted cyclam. The 1,7 di-uracil substituted cyclen was converted to the tricyclic guanidinium salt and acylurea upon heating in DMSO in the presence of weak acid. The 1,8-di-uracil Substituted cyclam gave a tricyclic dihydrioimidazolium Salt Under the same conditions These reactions can be explained by an intramolecular Uracil ring-breaking reaction mechanism (C) 2009 Elsevier Ltd All rights reserved