4-(4-chlorophenyl)-3-phenyl-5-(2-(phenylselanyl)ethyl)-4H-[1,2,4]triazole | 948854-49-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-chlorophenyl)-3-phenyl-5-(2-(phenylselanyl)ethyl)-4H-[1,2,4]triazole
• 英文别名: 4-(4-Chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole
• CAS: 948854-49-7
• 化学式: C₂₂H₁₈ClN₃Se
• 分子量: 438.818
• InChiKey: ZOJMVBOSBMFSEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenyl)-3-phenyl-5-(2-(phenylselanyl)ethyl)-4H-[1,2,4]triazole 在 双氧水 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.67h， 以98%的产率得到4-(4-chloro-phenyl)-3-phenyl-5-vinyl-4H-[1,2,4]triazole
  参考文献：
  名称：

  An efficient route to vinyl substituted oxadiazoles and triazoles using phenylselanyl derivatives as precursor

  摘要：

  Vinyl substituted oxadiazoles and triazoles were obtained from selenoxide syn-elimination of phenylselanylethyl substituted oxadiazoles and triazoles, which were prepared through hydrazinolysis, acylation, and cyclocondensation reactions of phenylselanyl-propionate. Using phenylselanyl group as the precursor of terminal double bond is critical to the success of the reactions. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.080
• 作为产物：
  描述：

  Ethyl 3-(Phenylseleno)propionate 在 吡啶 、 一水合肼 作用下， 以 甲醇 、 二氯甲烷 、 水 、 邻二氯苯 为溶剂， 反应 3.0h， 生成 4-(4-chlorophenyl)-3-phenyl-5-(2-(phenylselanyl)ethyl)-4H-[1,2,4]triazole
  参考文献：
  名称：

  An efficient route to vinyl substituted oxadiazoles and triazoles using phenylselanyl derivatives as precursor

  摘要：

  Vinyl substituted oxadiazoles and triazoles were obtained from selenoxide syn-elimination of phenylselanylethyl substituted oxadiazoles and triazoles, which were prepared through hydrazinolysis, acylation, and cyclocondensation reactions of phenylselanyl-propionate. Using phenylselanyl group as the precursor of terminal double bond is critical to the success of the reactions. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.080

文献信息

• An efficient route to vinyl substituted oxadiazoles and triazoles using phenylselanyl derivatives as precursor
  作者：Yu-Guang Wang、Xian Huang、Yu-Zhou Wu

  DOI：10.1016/j.tet.2007.05.080

  日期：2007.8

  Vinyl substituted oxadiazoles and triazoles were obtained from selenoxide syn-elimination of phenylselanylethyl substituted oxadiazoles and triazoles, which were prepared through hydrazinolysis, acylation, and cyclocondensation reactions of phenylselanyl-propionate. Using phenylselanyl group as the precursor of terminal double bond is critical to the success of the reactions. (C) 2007 Elsevier Ltd. All rights reserved.