(1,2,4-triazol)-4,4-dimethyl-3-pentanone | 622838-07-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (1,2,4-triazol)-4,4-dimethyl-3-pentanone
• 英文别名: 4,4-Dimethyl-1-(1H-1,2,4-triazol-1-yl)pentan-3-one；4,4-dimethyl-1-(1,2,4-triazol-1-yl)pentan-3-one
• CAS: 622838-07-7
• 化学式: C₉H₁₅N₃O
• 分子量: 181.238
• InChiKey: FHXIPAZPDUTSIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  311.8±44.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  (1,2,4-triazol)-4,4-dimethyl-3-pentanone 在 溴 、 sodium acetate 、 溶剂黄146 作用下， 生成 2-Bromo-4,4-dimethyl-1-(1H-1,2,4-triazol-1-yl)pentan-3-one
  参考文献：
  名称：

  [α-（烷基羰基）-2-（1,2,4-三唑-1-基）]乙基-N，N-二烷基二硫代氨基甲酸酯衍生物的合成，结构和生物学活性

  摘要：

  设计并合成了七个含有N，N-二烷基二硫代氨基甲酸酯基的1,2,4-三唑化合物。使用红外光谱，元素分析，1 H NMR光谱和质谱法鉴定了它们的结构，在两种情况下通过单晶X射线衍射鉴定了它们的结构。生物学测试结果表明，这七种化合物均具有杀真菌和调节植物生长的活性。

  DOI：

  10.1002/jhet.5570430417
• 作为产物：
  描述：

  1H-1,2,4-三唑 、 N,N-dimethyl-N-(4,4-dimethyl-3-oxopentyl)ammonium chloride 以 水 为溶剂， 生成 (1,2,4-triazol)-4,4-dimethyl-3-pentanone
  参考文献：
  名称：

  Synthesis and plant-growth regulatory activities of novel imine derivatives containing 1H-1,2,4-triazole and thiazole rings

  摘要：

  Eleven new imine derivatives 6 containing 1H-1,2,4-triazole and thiazole rings were synthesized by the condensation of 5-((1H-1,2,4-triazol-1-yl)methyl)-4-tert-butylthiazol-2-amine with various substituted benzaldehydes. The structures of the title compounds were characterized by H-1 NMR, MS and elemental analysis. The plant-growth regulatory activities of these compounds were evaluated. The primary bioassay results indicated that these target compounds exhibited promising plant-growth regulatory activities. (C) 2009 Jian Xin Fang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2009.11.007

文献信息

• Synthesis, structure and biological activities of [α-(alkylcarbonyl)-2-(1,2,4-triazol-1-yl)]ethyl-N,N-dialkydithiocarbamate derivatives
  作者：Fangfang Jian、Hailian Xiao、Chongyi Zhu、Liangzhong Xu

  DOI：10.1002/jhet.5570430417

  日期：2006.7

  N-dialkyldithiocarbamate group were designed and synthesized. Their structures were identified using infrared spectroscopy, element analysis, 1H NMR spectroscopy and mass spectrometry, and in two cases by single crystal X-ray diffraction. The result of the biological test showed that the seven compounds all have fungicidal and plant growth-regulating activities.

  设计并合成了七个含有N，N-二烷基二硫代氨基甲酸酯基的1,2,4-三唑化合物。使用红外光谱，元素分析，1 H NMR光谱和质谱法鉴定了它们的结构，在两种情况下通过单晶X射线衍射鉴定了它们的结构。生物学测试结果表明，这七种化合物均具有杀真菌和调节植物生长的活性。
• Synthesis and plant-growth regulatory activities of novel imine derivatives containing 1H-1,2,4-triazole and thiazole rings
  作者：Xue Qin、Hai Bo Yu、Hong Dai、Zhen Fang Qin、Xin Zhang、Gui Fang Bing、Ting Ting Wang、Jian Xin Fang

  DOI：10.1016/j.cclet.2009.11.007

  日期：2010.3

  Eleven new imine derivatives 6 containing 1H-1,2,4-triazole and thiazole rings were synthesized by the condensation of 5-((1H-1,2,4-triazol-1-yl)methyl)-4-tert-butylthiazol-2-amine with various substituted benzaldehydes. The structures of the title compounds were characterized by H-1 NMR, MS and elemental analysis. The plant-growth regulatory activities of these compounds were evaluated. The primary bioassay results indicated that these target compounds exhibited promising plant-growth regulatory activities. (C) 2009 Jian Xin Fang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.