tert-butyl N-(2-hydroxyethyl)-N-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]carbamate | 221248-03-9

• 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: tert-butyl N-(2-hydroxyethyl)-N-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]carbamate
• CAS: 221248-03-9
• 化学式: C₁₄H₂₃N₃O₅
• 分子量: 313.354
• InChiKey: GNXLVTXYFJGLCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  99.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl N-(2-hydroxyethyl)-N-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]carbamate 在 盐酸 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 24.0h， 生成 1-(5-hydroxy-3-aza-pentyl)thymine hydrochloride
  参考文献：
  名称：

  Synthesis and Antiviral Activity of Novel Aza-acyclonucleosides

  摘要：

  We have prepared a series of novel aza-acyclonucleosides as potential antiviral agents. These compounds were prepared from diethanolamine and the desired purine or pyrimidine base via a Mitsunobu coupling. No antiviral activity was observed against either HSV-I or HCMV.

  DOI：

  10.1080/15257779908043070
• 作为产物：
  描述：

  1-(5-O-benzyloxycarbonyl-3-aza-(N-tert-butoxycarbonyl)-pentyl)-N³-benzoyl thymine 在 lithium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 18.0h， 生成 tert-butyl N-(2-hydroxyethyl)-N-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]carbamate
  参考文献：
  名称：

  Synthesis and Antiviral Activity of Novel Aza-acyclonucleosides

  摘要：

  We have prepared a series of novel aza-acyclonucleosides as potential antiviral agents. These compounds were prepared from diethanolamine and the desired purine or pyrimidine base via a Mitsunobu coupling. No antiviral activity was observed against either HSV-I or HCMV.

  DOI：

  10.1080/15257779908043070