1-(5-bromopentyl)-6-methyluracil | 56826-13-2

• 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: 1-(5-bromopentyl)-6-methyluracil
• 英文别名: 1-(5-bromo-pentyl)-6-methyl-1H-pyrimidine-2,4-dione；1-(5-Bromopentyl)-6-methyl-uracil；1-(5-bromopentyl)-6-methylpyrimidine-2,4-dione
• CAS: 56826-13-2
• 化学式: C₁₀H₁₅BrN₂O₂
• 分子量: 275.145
• InChiKey: CNIPFDQDRRRKBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,5-二溴戊烷 、 6-methyl-2,4-bis(trimethylsiloxy)pyrimidine 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 以20%的产率得到1-(5-bromopentyl)-6-methyluracil
  参考文献：
  名称：

  Synthesis of acyclic and macrocyclic analogs of Di-, Tri-, and tetranucleotides

  摘要：

  Compounds consisting of two or three uracil fragments were synthesized by reaction of methyl-substituted uracil sodium salts with 1-(6-bromohexyl)-3,6-dimethyluracil or 1,6-dibromohexane. Treatment of these compounds with paraformaldehyde gave the corresponding pyrimidinophanes and acyclic compounds in which the uracil fragments are linked through methylene bridges. Uracil derivatives having no substituent on N-3 were synthesized by reactions of silylated uracils with 1,3-bis(6-bromohexyl)uracil or 4,4'-(6-bromohexyloxy)diphenylmethane. The acyclic compound was converted into pyrimidinophane containing uracil fragments with (NH)-H-3 groups. A trinucleotide analog including uracil and two adenine fragments was synthesized from 1,3-bis(6-bromohexyl)uracil.

  DOI：

  10.1134/s1070363207080233