3-hydroxy-1-(3-methoxyphenyl)-4-methyl-3-pyrimidin-5-ylpent-1-yne | 131910-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-hydroxy-1-(3-methoxyphenyl)-4-methyl-3-pyrimidin-5-ylpent-1-yne
• 英文别名: 1-(3-Methoxyphenyl)-4-methyl-3-pyrimidin-5-ylpent-1-yn-3-ol
• CAS: 131910-61-7
• 化学式: C₁₇H₁₈N₂O₂
• 分子量: 282.342
• InChiKey: VCICZEXPOHVRAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.2
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Pyrimidine derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0382368A1

  公开（公告）日：1990-08-16

  A pyrimidine derivative of formula (I):- wherein Y an organic radical and R² is hydrogen, an alkyl group containing from 1 to 4 carbon atoms, an alkenyl group containing from 3 to 4 carbon atoms, or an acylate of an alkyl carboxylic acid containing from 2 to 4 carbon atoms or of an aryl carboxylic acid is useful as an intermediate in the manufacture of pyrimidine plant growth regulators via reaction with a phenyl halide. The compound of formula (I) wherein R² is hydrogen may be prepared by reacting a ketone of general formula (IV):- with the reaction product of (a) Z - C ≡ C - H wherein Z is hydrogen or a protective group, and (b) an organometallic compound; and (ii) subsequently removing the protective group, Z, where it is present.

  公式（I）的嘧啶衍生物：其中Y是有机基团，R²是氢，含1至4个碳原子的烷基，含3至4个碳原子的烯基基团，或含有2至4个碳原子的烷基羧酸或苯基羧酸的酰化物，在与苯基卤素反应制备嘧啶植物生长调节剂中用作中间体。当R²为氢时，公式（I）的化合物可通过将通式（IV）的酮与（a）Z-C ≡ C-H（其中Z是氢或保护基团）和（b）有机金属化合物的反应产物反应，然后在存在Z时去除保护基团Z来制备。