3-(4-Chloro-phenyl)-1-phenyl-2-[1,2,4]triazol-1-yl-propan-1-one | 60850-62-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-(4-Chloro-phenyl)-1-phenyl-2-[1,2,4]triazol-1-yl-propan-1-one
• 英文别名: 3-(4-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one
• CAS: 60850-62-6
• 化学式: C₁₇H₁₄ClN₃O
• 分子量: 311.771
• InChiKey: ZHIOHBGTGCHEBB-UHFFFAOYSA-N

物化性质

• 沸点：
  525.3±60.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-Chloro-phenyl)-1-phenyl-2-[1,2,4]triazol-1-yl-propan-1-one 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 3-(4-Chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)propan-1-ol
  参考文献：
  名称：

  New lead compounds for brassinosteroid biosynthesis inhibitors

  摘要：

  The first brassinosteroid biosynthesis inhibitor is reported. Among newly synthesized triazole derivatives, 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazoyl)butan-2-ol (6) was found to inhibit the growth of cress seedlings, and this inhibition was recovered by the treatment of brassinolide, suggesting that compound 6 primarily inhibits brassinosteroid biosynthesis. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00008-6
• 作为产物：
  描述：

  1-苯基-2-(1H-1,2,4-噻唑-1-基)乙酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 3-(4-Chloro-phenyl)-1-phenyl-2-[1,2,4]triazol-1-yl-propan-1-one
  参考文献：
  名称：

  New lead compounds for brassinosteroid biosynthesis inhibitors

  摘要：

  The first brassinosteroid biosynthesis inhibitor is reported. Among newly synthesized triazole derivatives, 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazoyl)butan-2-ol (6) was found to inhibit the growth of cress seedlings, and this inhibition was recovered by the treatment of brassinolide, suggesting that compound 6 primarily inhibits brassinosteroid biosynthesis. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00008-6