3-[(5,6,7,8-Tetrahydronaphthalen-2-yl)oxymethyl]-4-phenyl-5-mercapto-1,2,4-triazole | 235099-76-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[(5,6,7,8-Tetrahydronaphthalen-2-yl)oxymethyl]-4-phenyl-5-mercapto-1,2,4-triazole
• 英文别名: 4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1H-1,2,4-triazole-5-thione
• CAS: 235099-76-0
• 化学式: C₁₉H₁₉N₃OS
• 分子量: 337.445
• InChiKey: XBJXXPVPXRBUCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  39.94
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2'-溴-4-氯苯乙酮 、 3-[(5,6,7,8-Tetrahydronaphthalen-2-yl)oxymethyl]-4-phenyl-5-mercapto-1,2,4-triazole 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 5.0h， 以50%的产率得到3-[(5,6,7,8-Tetrahydronaphthalen-2-yl)oxymethyl]-4-phenyl-5-(p-chlorophenacyl)thio-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and analgesic activity of some triazoles and triazolothiadiazines

  摘要：

  The synthesis of some triazoles and triazolothiadiazines starting from (5,6,7,8-tetrahydronaphthalen-2-yl)oxyacetic acid is described. The chemical structure of the compounds were elucidated by analytical, IR, H-1 NMR and mass spectral studies. Some of the newly synthesized compounds were tested for analgesic activity and compounds 5b, 5c, and 5d exhibited promising analgesic activity. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00016-6
• 作为产物：
  描述：

  5,6,7,8-四氢-2-萘酚 在 sodium hydroxide 、 硫酸 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 9.0h， 生成 3-[(5,6,7,8-Tetrahydronaphthalen-2-yl)oxymethyl]-4-phenyl-5-mercapto-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and analgesic activity of some triazoles and triazolothiadiazines

  摘要：

  The synthesis of some triazoles and triazolothiadiazines starting from (5,6,7,8-tetrahydronaphthalen-2-yl)oxyacetic acid is described. The chemical structure of the compounds were elucidated by analytical, IR, H-1 NMR and mass spectral studies. Some of the newly synthesized compounds were tested for analgesic activity and compounds 5b, 5c, and 5d exhibited promising analgesic activity. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00016-6