1-(4-chloro-phenyl)-3-phenyl-2-[1,2,4]triazol-1-yl-propenone | 63334-22-5

• 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: 1-(4-chloro-phenyl)-3-phenyl-2-[1,2,4]triazol-1-yl-propenone
• 英文别名: 1-(4-Chlorophenyl)-3-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
• CAS: 63334-22-5
• 化学式: C₁₇H₁₂ClN₃O
• 分子量: 309.755
• InChiKey: JONHCKMOPXXKIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  1-(4-chloro-phenyl)-3-phenyl-2-[1,2,4]triazol-1-yl-propenone 在 三乙胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 96.0h， 生成 2-(((1Z,2E)-1-(4-chlorophenyl)-3-phenyl-2-(1H-1,2,4-triazol-1-yl)allylidene)amino)phenyl (Z)-N-hydroxy-4-methoxybenzimidothioate
  参考文献：
  名称：

  Investigation on the Ring-Opening Reactions of 3-(1H-1,2,4-Triazol-1-yl)1,5-benzothiazepines with Arylonitrile Oxides

  摘要：

  Novel ring opening compounds, (Z)-2-((Z)-((E)-1,3-diaryl-2-(1H-1,2,4-triazol-1-yl)allylidene)amino)aryl N-hydroxybenzimidothioates 4a-r, were obtained from the reaction of 2,4-diaryl-3-(1H-1,2,4-triazol-1-yl)-2,5-dihydro-1,5-benzothiazepines 3a-f and arylonitrile oxides. The structure of these products has been elucidated by spectroscopic analysis and, in one case, X-ray crystallographic analysis. According to the result, it was presumed that this reaction did not proceeded through 1,3-dipolar cycloaddition reaction.

  DOI：

  10.1080/10426507.2010.509290
• 作为产物：
  描述：

  2'-溴-4-氯苯乙酮 在 哌啶 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 1-(4-chloro-phenyl)-3-phenyl-2-[1,2,4]triazol-1-yl-propenone
  参考文献：
  名称：

  Investigation on the Ring-Opening Reactions of 3-(1H-1,2,4-Triazol-1-yl)1,5-benzothiazepines with Arylonitrile Oxides

  摘要：

  Novel ring opening compounds, (Z)-2-((Z)-((E)-1,3-diaryl-2-(1H-1,2,4-triazol-1-yl)allylidene)amino)aryl N-hydroxybenzimidothioates 4a-r, were obtained from the reaction of 2,4-diaryl-3-(1H-1,2,4-triazol-1-yl)-2,5-dihydro-1,5-benzothiazepines 3a-f and arylonitrile oxides. The structure of these products has been elucidated by spectroscopic analysis and, in one case, X-ray crystallographic analysis. According to the result, it was presumed that this reaction did not proceeded through 1,3-dipolar cycloaddition reaction.

  DOI：

  10.1080/10426507.2010.509290

文献信息

• Investigation on the Ring-Opening Reactions of 3-(1H-1,2,4-Triazol-1-yl)1,5-benzothiazepines with Arylonitrile Oxides
  作者：Sheng-Qin Chen、Fei Ding、Fang-Ming Liu

  DOI：10.1080/10426507.2010.509290

  日期：2011.2.28

  Novel ring opening compounds, (Z)-2-((Z)-((E)-1,3-diaryl-2-(1H-1,2,4-triazol-1-yl)allylidene)amino)aryl N-hydroxybenzimidothioates 4a-r, were obtained from the reaction of 2,4-diaryl-3-(1H-1,2,4-triazol-1-yl)-2,5-dihydro-1,5-benzothiazepines 3a-f and arylonitrile oxides. The structure of these products has been elucidated by spectroscopic analysis and, in one case, X-ray crystallographic analysis. According to the result, it was presumed that this reaction did not proceeded through 1,3-dipolar cycloaddition reaction.