1-[(3-甲氧基苯基)甲基]-3-(4-甲基苯基)吲唑 | 872682-10-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-[(3-甲氧基苯基)甲基]-3-(4-甲基苯基)吲唑
• 英文名称: 1-(3-methoxybenzyl)-3-(4-methylphenyl)-1H-indazole
• 英文别名: 1-[(3-Methoxyphenyl)methyl]-3-(4-methylphenyl)-1H-indazole；1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
• CAS: 872682-10-5
• 化学式: C₂₂H₂₀N₂O
• 分子量: 328.414
• InChiKey: ZTFUXENZKJHLOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-吗啉基-1-环己烯 在 palladium on activated charcoal 盐酸 、 sodium ethanolate 、 一水合肼 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 氯仿 为溶剂， 反应 34.0h， 生成 1-[(3-甲氧基苯基)甲基]-3-(4-甲基苯基)吲唑
  参考文献：
  名称：

  Synthesis of N2-(substituted benzyl)-3-(4-methylphenyl)indazoles as novel anti-angiogenic agents

  摘要：

  To search for novel compounds with potent anti-angiogenic activity, a series of N-1-(substituted benzyl)-3-(4-methylphenyl)-1H-indazoles (16, 18, 20, 22, 24, 26, 28, 30, 32) and N-2-(substituted benzyl)-3-(4-methylphenyl)-2H-indazoles (17, 19, 21, 23, 25, 27, 29, 31, and 33) were synthesized. The structures of these regioisomers were established by IR, UV, and NMR spectral data. 3-(4-Methylphenyl)-1H-indazole (6) and the N-2-substituted derivatives (17, 19, 21, 23, 25, 29, 31, 33) were evaluated for their anti-angiogenic activity. Most of them showed more prominent activity than ethyl 4-(1-benzyl-1H-indazol-3-yl)benzoate (YD-3). Among these tested compounds, 2-(4-chlorobenzyl)-3-(4-methylphenyl)-2H-indazole (19), 2-(4-methylbenzyl)-3-(4-methylphenyl)-2H-indazole (25), and 2-(4-methoxybenzyl)-3-(4-methylphenyl)-2H-indazole (31) showed significant anti-angiogenic activity and are worthy of further investigation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.032