(E)-1-(4-(4-(1-hydroxyethyl)-1H-1,2,3-triazol-1-yl)phenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol | 1194396-91-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-1-(4-(4-(1-hydroxyethyl)-1H-1,2,3-triazol-1-yl)phenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
• CAS: 1194396-91-2
• 化学式: C₁₉H₂₄N₆O₂
• 分子量: 368.439
• InChiKey: NHWLMZGJYKEWBM-RQZCQDPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  101.88
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (E)-1-(4-azidophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol 、 3-丁炔-2-醇 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 生成 (E)-1-(4-(4-(1-hydroxyethyl)-1H-1,2,3-triazol-1-yl)phenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
  参考文献：
  名称：

  Enlarged analogues of uniconazole, new azole containing inhibitors of ABA 8′-hydroxylase CYP707A

  摘要：

  We enlarged the uniconazole (UNI) molecule to find a specific inhibitor of abscisic acid (ABA) 8'-hydroxylase, and synthesized various UNI derivatives that were substituted with hydrophilic and hydrophobic groups at the 4-chlorine of the phenyl group of UNI using click chemistry. Considering its potency in ABA 8'-hydroxylase inhibition, its small effect on seedling growth, and its ease of application, UT4, the UNI derivative containing the C-4 alkyltriazole, was the best candidate for a highly selective inhibitor of ABA 8'-hydroxylase. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.137