1-{4-[2-hydroxy-4-(1-methylethoxy)phenyl]-5-phenylpyrimidin-2-yl}thiourea | 1233943-84-4

• 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: 1-{4-[2-hydroxy-4-(1-methylethoxy)phenyl]-5-phenylpyrimidin-2-yl}thiourea
• 英文别名: [4-(2-Hydroxy-4-propan-2-yloxyphenyl)-5-phenylpyrimidin-2-yl]thiourea
• CAS: 1233943-84-4
• 化学式: C₂₀H₂₀N₄O₂S
• 分子量: 380.47
• InChiKey: MGRBOMCXHBWYKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  脒基硫脲 、 依普黄酮 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以69%的产率得到1-{4-[2-hydroxy-4-(1-methylethoxy)phenyl]-5-phenylpyrimidin-2-yl}thiourea
  参考文献：
  名称：

  One-Step Synthesis of 1-(4,5-Diphenylpyrimidin-2-yl)thiourea

  摘要：

  AbstractA simple and straightforward methodology toward the synthesis of novel 1‐(4,5‐diphenylpyrimidin‐2‐yl)thiourea has been developed by a one‐step reaction of isoflavones with amidinothiourea. A series of 16 new compounds was synthesized. All compounds were characterized by FT‐IR, NMR, and elemental analysis. The structure of a typical compound was established by X‐ray diffraction. A variety of substrates can participate in the process with good yields and high purities, making this methodology suitable for library synthesis in drug discovery.

  DOI：

  10.1002/hlca.200900438