2,4-二氯-6-(氯甲基)-5-甲基嘧啶 | 430440-91-8

• 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: 2,4-二氯-6-(氯甲基)-5-甲基嘧啶
• 英文名称: 6-(chloromethyl)-2,4-dichloro-5-methylpyrimidine
• 英文别名: 2,4-Dichloro-6-(chloromethyl)-5-methylpyrimidine；2,4-dichloro-6-(chloromethyl)-5-methylpyrimidine
• CAS: 430440-91-8
• 化学式: C₆H₅Cl₃N₂
• 分子量: 211.478
• InChiKey: CXCGIXGYGDYWGB-UHFFFAOYSA-N

物化性质

• 沸点：
  309.4±37.0 °C(Predicted)
• 密度：
  1.471±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-二氯-6-(氯甲基)-5-甲基嘧啶 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以74%的产率得到6-(chloromethyl)thymine
  参考文献：
  名称：

  Synthesis and enzymatic evaluation of pyridinium-Substituted uracil derivatives as novel inhibitors of thymidine phosphorylase

  摘要：

  A series of water soluble N(1)- and C(6)-substituted uracil pyridinium compounds were prepared as potential inhibitors of thymidine phosphorylase (TP). The C(6)-uracil substituted derivatives were the most active. 1-[(5-Chloro-2,4-dihydroxy-pyrimidin-6-yl)methyl]pyridinium chloride, was identified as the best inhibitor being 5-fold more potent than the known inhibitor, 6-amino-5-bromouracil. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00309-1
• 作为产物：
  描述：

  6-(hydroxymethyl)-2,4-dihydroxy-5-methylpyrimidine 在 三氯氧磷 作用下， 反应 12.0h， 以91%的产率得到2,4-二氯-6-(氯甲基)-5-甲基嘧啶
  参考文献：
  名称：

  Synthesis and enzymatic evaluation of pyridinium-Substituted uracil derivatives as novel inhibitors of thymidine phosphorylase

  摘要：

  A series of water soluble N(1)- and C(6)-substituted uracil pyridinium compounds were prepared as potential inhibitors of thymidine phosphorylase (TP). The C(6)-uracil substituted derivatives were the most active. 1-[(5-Chloro-2,4-dihydroxy-pyrimidin-6-yl)methyl]pyridinium chloride, was identified as the best inhibitor being 5-fold more potent than the known inhibitor, 6-amino-5-bromouracil. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00309-1

文献信息

• Synthesis and enzymatic evaluation of pyridinium-Substituted uracil derivatives as novel inhibitors of thymidine phosphorylase
  作者：Paul E Murray、Virginia A McNally、Stacey D Lockyer、Kaye J Williams、Ian J Stratford、Mohammed Jaffar、Sally Freeman

  DOI：10.1016/s0968-0896(01)00309-1

  日期：2002.3

  A series of water soluble N(1)- and C(6)-substituted uracil pyridinium compounds were prepared as potential inhibitors of thymidine phosphorylase (TP). The C(6)-uracil substituted derivatives were the most active. 1-[(5-Chloro-2,4-dihydroxy-pyrimidin-6-yl)methyl]pyridinium chloride, was identified as the best inhibitor being 5-fold more potent than the known inhibitor, 6-amino-5-bromouracil. (C) 2002 Elsevier Science Ltd. All rights reserved.