5-chloro-1-(4-hydroxy-2-pentynyl)-2(1H)-pyridinone | 136786-53-3

• 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: 5-chloro-1-(4-hydroxy-2-pentynyl)-2(1H)-pyridinone
• 英文别名: 5-chloro-1-(4-hydroxypent-2-ynyl)pyrimidin-2-one
• CAS: 136786-53-3
• 化学式: C₉H₉ClN₂O₂
• 分子量: 212.636
• InChiKey: OOLVCLNMSVJXEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.28
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-羟基-5-氯嘧啶 、 5-chloro-3-pentyn-2-ol 在 三乙胺 、 sodium iodide 作用下， 以 二氯甲烷 为溶剂， 以42%的产率得到5-chloro-1-(4-hydroxy-2-pentynyl)-2(1H)-pyridinone
  参考文献：
  名称：

  Synthesis and Studies of Alkynyl Pyrimidinones as Metaphase Inhibitors.

  摘要：

  Methods are described for the syntheses of chloromethyl propargyl ethers are propargyl halides substituted with a hydroxyalkyl group, and their use in alkylation reactions of 2-pyrimidinoses. The N-alkynyl derivatives are reversible inhibitors of mitosis in the metaphase of the cell-cycle. The in vivo screening was on Chang liver cells.

  DOI：

  10.3891/acta.chem.scand.45-0731

文献信息

• Synthesis and Studies of Alkynyl Pyrimidinones as Metaphase Inhibitors.
  作者：Tore Benneche、Gunnar Keilen、Jan Solberg、Reidar Oftebro、Kjell Undheim、Lars I. Elding

  DOI：10.3891/acta.chem.scand.45-0731

  日期：——

  Methods are described for the syntheses of chloromethyl propargyl ethers are propargyl halides substituted with a hydroxyalkyl group, and their use in alkylation reactions of 2-pyrimidinoses. The N-alkynyl derivatives are reversible inhibitors of mitosis in the metaphase of the cell-cycle. The in vivo screening was on Chang liver cells.