1-(3-肼基苯基)乙酮 | 79266-25-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-肼基苯基)乙酮
• 英文名称: 3-acetylphenylhydrazine
• 英文别名: 1-(3-Hydrazinylphenyl)ethanone
• CAS: 79266-25-4
• 化学式: C₈H₁₀N₂O
• mdl: MFCD02663077
• 分子量: 150.18
• InChiKey: KQMSJLSQHJXVNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-肼基苯基)乙酮 在 吡啶 、 硅酸四乙酯 、 4-甲基苯磺酸吡啶 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 lithium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 56.5h， 生成 1-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-4-yl]ethanone
  参考文献：
  名称：

  Detailed structure–activity relationship of indolecarboxamides as H4 receptor ligands

  摘要：

  A series of 76 derivatives of the indolecarboxamide 1 were synthesized, which allows a detailed SAR investigation of this well known scaffold. The data enable the definition of a predictive QSAR model which identifies several compounds with an activity comparable to 1. A selection of these new H4R antagonists was synthesized and a comparison of predicted and measured values demonstrates the robustness of the model (47-55). In addition to the H-4-receptor activity general CMC and DMPK properties were investigated. Some of the new analogs are not only excellently soluble, but display a significantly increased half-life in mouse liver microsomes as well. These properties qualify these compounds as a possible new standard for future in vivo studies (e.g 51, 52 and 55). Moreover, the current studies also provide valuable information on the potential receptor ligand interactions between the indolcarboxamides and the H4R protein. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.06.016
• 作为产物：
  描述：

  3-[4-acetyl]phenyl sydnone 在 盐酸 作用下， 反应 2.0h， 以45%的产率得到1-(3-肼基苯基)乙酮
  参考文献：
  名称：

  3-（取代苯基）-sydnones 的合成和抗菌活性

  摘要：

  3-（3 或​​ 4-乙酰苯基）-sydnones 7, 8 已经通过形成甘氨酸 3, 4 合成，然后亚硝化为 5, 6 并用乙酸酐环化为 sydnones。通过甘氨酸 3、4 与合适的醛缩合形成查耳酮类似物 11、12，然后进行用于制备 7、8 的反应，从而制备带有查耳酮部分 15、16 的悉尼酮衍生物。筛选出悉尼酮衍生物用于抗菌活性。

  DOI：

  10.1002/ardp.19923250706

文献信息

• Fungicidal composition comprising alpha-substituted ethylphosphinic acids or their salts, and method of preventing or curing plant disease using them
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0063464A1

  公开（公告）日：1982-10-27

  A fungicidal composition which comprises as an active ingredient a fungicidally effective amount of a compound of the formula: wherein X is a hydroxyl group or a hydroxyamino group, or a salt thereof together with an inert carrier or diluent.

  一种杀真菌组合物，其活性成分包括杀真菌有效量的式化合物： 其中 X 为羟基或羟基氨基，或其盐与惰性载体或稀释剂一起使用。
• Alpha-hydroxy-beta-haloethylphosphinic acids and their salts, and their production and use
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0113190A1

  公开（公告）日：1984-07-11

  A compound of the formula: wherein X is a chlorine atom or a bromine atom, or its salt, which is useful as a fungicide.

  一种可用作杀真菌剂的式：其中 X 为氯原子或溴原子的化合物或其盐。
• Reactive azo compounds, processes for their preparation and their use for dyeing fibers and textiles
  申请人：NIPPON KAYAKU KABUSHIKI KAISHA

  公开号：EP0013996B1

  公开（公告）日：1983-12-14
• Soil disinfectant composition, a method for preventing and controlling diseases in soil and certain phenylphosphinic acid salts
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0031054B1

  公开（公告）日：1984-02-29
• JPS5975966A
  申请人：——

  公开号：JPS5975966A

  公开（公告）日：1984-04-28