[2,4-dichloro-1-(4-fluorophenyl)-1H-imidazol-5-yl]methanol | 1438038-99-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [2,4-dichloro-1-(4-fluorophenyl)-1H-imidazol-5-yl]methanol
• 英文别名: [2,5-dichloro-3-(4-fluorophenyl)imidazol-4-yl]methanol
• CAS: 1438038-99-3
• 化学式: C₁₀H₇Cl₂FN₂O
• 分子量: 261.083
• InChiKey: YKJVIAPUZNBYOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [2,4-dichloro-1-(4-fluorophenyl)-1H-imidazol-5-yl]methanol 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以77%的产率得到2,4-dichloro-5-chloromethyl-1-(4-fluorophenyl)-1H-imidazole
  参考文献：
  名称：

  Polyfunctional imidazoles: VII. 1-aryl-4-chloro-5-[hydroxy(halo)methyl]-1H-imidazoles and their derivatives

  摘要：

  The reduction of 1-aryl-4-chloro-1H-imidazole-5-carbaldehydes with sodium tetrahydridoborate gave 1-aryl-4-chloro-1H-imidazol-5-ylmethanols which were converted into 5-chloromethyl and 5-fluoromethyl derivatives. 1-Aryl-4-chloro-5-chloromethyl-1H-imidazoles reacted with sodium azide, secondary amines, thiols, and triphenylphosphine to produce the corresponding products of chlorine replacement in the 5-chloromethyl group.

  DOI：

  10.1134/s1070428013040131
• 作为产物：
  描述：

  1-(4-fluorophenyl)-2,4-dichloro-1H-imidazole-5-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以80%的产率得到[2,4-dichloro-1-(4-fluorophenyl)-1H-imidazol-5-yl]methanol
  参考文献：
  名称：

  Polyfunctional imidazoles: VII. 1-aryl-4-chloro-5-[hydroxy(halo)methyl]-1H-imidazoles and their derivatives

  摘要：

  The reduction of 1-aryl-4-chloro-1H-imidazole-5-carbaldehydes with sodium tetrahydridoborate gave 1-aryl-4-chloro-1H-imidazol-5-ylmethanols which were converted into 5-chloromethyl and 5-fluoromethyl derivatives. 1-Aryl-4-chloro-5-chloromethyl-1H-imidazoles reacted with sodium azide, secondary amines, thiols, and triphenylphosphine to produce the corresponding products of chlorine replacement in the 5-chloromethyl group.

  DOI：

  10.1134/s1070428013040131