Phenyl-(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol | 244246-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Phenyl-(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
• CAS: 244246-34-2
• 化学式: C₁₇H₁₆N₂O
• 分子量: 264.327
• InChiKey: UOBQSIHZNHRQMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.05
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Phenyl-(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol 在 氯化亚砜 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 1-[(1-Methyl-5-phenyl-pyrazol-4-yl)-phenyl-methyl]-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and biological evaluation of [α-(1,5-disubstituted 1H-pyrazol-4-yl)benzyl]azoles, analogues of bifonazole

  摘要：

  A series of pyrazole analogues of bifonazole, an antifungal drug used in clinical practice, 2a-h and 4a-b were synthesized and tested in vitro against Candida albicans, Cryptococcus neoformans and Aspergillus fumigatus, with no significant results. Imidazoles 2a-h were also tested in vivo for antiarrhythmic and antihypertensive activities; two of these compounds showed moderate activity against ventricular fibrillation caused by aconitine in rats. The above compounds were prepared by reaction of phenyl[5 substituted 1-phenyl (or 1-methyl)-1H-pyrazol-4-yl]methanols with N,N'-carbonyldiimidazole (2a-h) or of the respective chloro derivatives with 1H-1,2,4-triazole (4a-h). (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00036-1
• 作为产物：
  描述：

  4-Benzoyl-1-methyl-5-phenyl-1H-pyrazole 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以51%的产率得到Phenyl-(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
  参考文献：
  名称：

  Synthesis and biological evaluation of [α-(1,5-disubstituted 1H-pyrazol-4-yl)benzyl]azoles, analogues of bifonazole

  摘要：

  A series of pyrazole analogues of bifonazole, an antifungal drug used in clinical practice, 2a-h and 4a-b were synthesized and tested in vitro against Candida albicans, Cryptococcus neoformans and Aspergillus fumigatus, with no significant results. Imidazoles 2a-h were also tested in vivo for antiarrhythmic and antihypertensive activities; two of these compounds showed moderate activity against ventricular fibrillation caused by aconitine in rats. The above compounds were prepared by reaction of phenyl[5 substituted 1-phenyl (or 1-methyl)-1H-pyrazol-4-yl]methanols with N,N'-carbonyldiimidazole (2a-h) or of the respective chloro derivatives with 1H-1,2,4-triazole (4a-h). (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00036-1