1-(2,4-二氯苯基)-3-(1,2,4-三唑-1-基)丙烷-1-酮 | 81234-40-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2,4-二氯苯基)-3-(1,2,4-三唑-1-基)丙烷-1-酮
• 英文名称: 3-(1H-1,2,4-triazol-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
• 英文别名: 1-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one；1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-one
• CAS: 81234-40-4
• 化学式: C₁₁H₉Cl₂N₃O
• 分子量: 270.118
• InChiKey: KIUCNBIBJMMTEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  二茂铁甲醛 、 1-(2,4-二氯苯基)-3-(1,2,4-三唑-1-基)丙烷-1-酮 在 哌啶 作用下， 以 溶剂黄146 为溶剂， 生成 2-((1H-1,2,4-triazol-1-yl)methyl)-3-ferrocenyl-1-(2,4-dichlorophenyl)prop-2-en-1-one
  参考文献：
  名称：

  Synthesis and Biological Activity of 1 H -1,2,4-Triazole Alcohol Derivatives

  摘要：

  Eight new 1H-1,2,4-triazole alcohol derivatives containing a ferrocenyl moiety were synthesized. In addition, four unexpected compounds, which are the hydroxyl of the title compounds being methylated by methanol, were obtained. The structures of all these new compounds have been confirmed with 1H NMR spectra, MS, and elemental analyses. The antifungal and plant growth regulatory activities of these compounds are discussed.

  DOI：

  10.1080/15533170802371224
• 作为产物：
  描述：

  2,4-二氯苯乙酮 在 乙酸酐 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 1-(2,4-二氯苯基)-3-(1,2,4-三唑-1-基)丙烷-1-酮
  参考文献：
  名称：

  Takahashi, Kimio; Shimizu, Sumio; Ogata, Masaru, Synthetic Communications, 1987, vol. 17, # 7, p. 809 - 816

  摘要：

  DOI：

文献信息

• YOSHIDA, KENJI;NAKAZAWA, MAKOTO;SHIKE, TOYOHIKO;TOMIDA, MASAYUKI;TSUDA, M+
  作者：YOSHIDA, KENJI、NAKAZAWA, MAKOTO、SHIKE, TOYOHIKO、TOMIDA, MASAYUKI、TSUDA, M+

  DOI：——

  日期：——
• TAKAHASHI KIMIO; SHIMIZU SUMIO; OGATA MASARU, SYNTH. COMMUN., 17,(1987) N 7, 809-815
  作者：TAKAHASHI KIMIO、 SHIMIZU SUMIO、 OGATA MASARU

  DOI：——

  日期：——
• Takahashi, Kimio; Shimizu, Sumio; Ogata, Masaru, Synthetic Communications, 1987, vol. 17, # 7, p. 809 - 816
  作者：Takahashi, Kimio、Shimizu, Sumio、Ogata, Masaru

  DOI：——

  日期：——
• Synthesis and Biological Activity of 1<b> <i>H</i> </b>-1,2,4-Triazole Alcohol Derivatives
  作者：Jianbing Liu、Hong Dai、Wei Liu、Jianxin Fang

  DOI：10.1080/15533170802371224

  日期：2008.10.13

  Eight new 1H-1,2,4-triazole alcohol derivatives containing a ferrocenyl moiety were synthesized. In addition, four unexpected compounds, which are the hydroxyl of the title compounds being methylated by methanol, were obtained. The structures of all these new compounds have been confirmed with 1H NMR spectra, MS, and elemental analyses. The antifungal and plant growth regulatory activities of these compounds are discussed.