5-氯-1-(乙氧基甲基)嘧啶-2-酮 | 88350-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-氯-1-(乙氧基甲基)嘧啶-2-酮
• 英文名称: 5-chloro-1-ethoxymethyl-2(1H)-pyrimidinone
• 英文别名: 5-chloro-1-(ethoxy)methylpyrimidin-2-one；5-Chloro-1-(ethoxymethyl)pyrimidin-2(1H)-one；5-chloro-1-(ethoxymethyl)pyrimidin-2-one
• CAS: 88350-60-1
• 化学式: C₇H₉ClN₂O₂
• 分子量: 188.614
• InChiKey: BZWUTBKMWUXUMY-UHFFFAOYSA-N

物化性质

• 沸点：
  249.5±50.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-羟基-5-氯嘧啶 、 氯甲基乙醚 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以43%的产率得到5-氯-1-(乙氧基甲基)嘧啶-2-酮
  参考文献：
  名称：

  Pyrimidinones as reversible metaphase arresting agents

  摘要：

  5-Halo-N(1)-substituted 2(1H)-pyrimidinones have the ability to cause reversible arrest of mitosis during metaphase, Highly active compounds have a heteroatom (O, S or N) in the beta-position of the N(1)-carbon chain which is further substituted by an aryl group. In vitro data have been provided. It is suggested that reversible metaphase inhibitors can be used as synchronizing agents of cell-cycles by applying them in a sequential manner when a phase-specific cytotoxic drug is used in the treatment of diseases caused by uncontrolled rapidly proliferating cells. The active compounds are prepared from 2-pyrimidinones by alkylation reactions. The key reactants are alpha-chloroalkyl ethers, sulfides and amides; methods for their syntheses have been described.

  DOI：

  10.1016/0223-5234(93)90014-6

文献信息

• Benneche, Tore; Undheim, Kjell, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1983, vol. 37, # 4, p. 345 - 350
  作者：Benneche, Tore、Undheim, Kjell

  DOI：——

  日期：——
• BENNECHE, T.;UNDHEIM, K., ACTA CHEM. SCAND., 1983, 37, N 4, 345-349
  作者：BENNECHE, T.、UNDHEIM, K.

  DOI：——

  日期：——
• Pyrimidinones as reversible metaphase arresting agents
  作者：T Benneche、P Strande、R Oftebro、K Undheim

  DOI：10.1016/0223-5234(93)90014-6

  日期：1993.1

  5-Halo-N(1)-substituted 2(1H)-pyrimidinones have the ability to cause reversible arrest of mitosis during metaphase, Highly active compounds have a heteroatom (O, S or N) in the beta-position of the N(1)-carbon chain which is further substituted by an aryl group. In vitro data have been provided. It is suggested that reversible metaphase inhibitors can be used as synchronizing agents of cell-cycles by applying them in a sequential manner when a phase-specific cytotoxic drug is used in the treatment of diseases caused by uncontrolled rapidly proliferating cells. The active compounds are prepared from 2-pyrimidinones by alkylation reactions. The key reactants are alpha-chloroalkyl ethers, sulfides and amides; methods for their syntheses have been described.