5-chloro-1-(3-chloro-2-propynyl)-2(1H)-pyrimidinone | 136786-59-9

• 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: 5-chloro-1-(3-chloro-2-propynyl)-2(1H)-pyrimidinone
• 英文别名: 5-chloro-1-(3-chloroprop-2-ynyl)pyrimidin-2-one
• CAS: 136786-59-9
• 化学式: C₇H₄Cl₂N₂O
• 分子量: 203.028
• InChiKey: YFTSYALATNIYGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  34.89
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-羟基-5-氯嘧啶 、 3-chloro-2-propyn-1-ol 在 甲基磺酰氯 、 三乙胺 作用下， 生成 5-chloro-1-(3-chloro-2-propynyl)-2(1H)-pyrimidinone
  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.