4-Chlorbenzoylchlorid-4-bromphenylhydrazon | 25939-03-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Chlorbenzoylchlorid-4-bromphenylhydrazon
• 英文别名: N'-(4-bromo-phenyl)-4-chloro-benzohydrazonoyl chloride；N'-(4-Brom-phenyl)-4-chlor-benzohydrazonoylchlorid；p-chlorobenzoyl chloride (p-bromophenyl)hydrazone；p-Chlorobenzoyl chloride (p-bromophenyl)hydrazone；N-(4-bromophenyl)-4-chlorobenzenecarbohydrazonoyl chloride
• CAS: 25939-03-1
• 化学式: C₁₃H₉BrCl₂N₂
• 分子量: 344.038
• InChiKey: PAMCUJPZGPDIBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Chlorbenzoylchlorid-4-bromphenylhydrazon 在 乙醇 作用下， 生成 4-chloro-benzoic acid-[N'-(4-bromo-phenyl)-hydrazide]
  参考文献：
  名称：

  Brough et al., Journal of the Chemical Society, 1954, p. 4069,4079

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 乙醚 作用下， 生成 4-Chlorbenzoylchlorid-4-bromphenylhydrazon
  参考文献：
  名称：

  Brough et al., Journal of the Chemical Society, 1954, p. 4069,4079

  摘要：

  DOI：

文献信息

• INVESTIGATION INTO THE REGIOCHEMISTRY OF SOME PYRAZOLES DERIVED FROM 1, 3-DIPOLAR CYCLOADDITION OF ACRYLONITRILE WITH SOME NITRILIMINES: THEORETICAL AND EXPERIMENTAL STUDIES
  作者：FARID MOEINPOUR、MEHDI BAKAVOLI、ABOLGHASEM DAVOODNIA、ALI MORSALI

  DOI：10.4067/s0717-97072011000400010

  日期：——

  used and the most rigorous approach for the study of the mechanism and the regiochemistry of these reactions, the localization of transition states is not always easier. Furthermore, transition state calculations are often very time-consuming when bulky substituents are present in reactive systems. Recently, reactivity descriptors based on the density functional theory (DFT), such as Fukui indexes, local

  在原位产生的丙烯腈和两个N-（4-取代）苯基-C-（4-氯苯基）硝胺之间进行偶极环加成，得到了新的吡唑。这些反应的区域化学和反应性已经在基于密度泛函理论（DFT）的反应性指数和活化能计算的基础上进行了研究。通过GIAO方法获得的环加合物的理论13C NMR化学位移与观察值相当。Diels-Alder（DA）反应和1,3-DC的发展源于理论与实验2-4之间卓有成效的相互作用。空间效应和电子效应这两个主要因素可以影响这些反应的区域选择性2。尽管过渡态理论仍然是研究这些反应的机理和区域化学的最广泛使用和最严格的方法，但是过渡态的定位并不总是那么容易。此外，当反应体系中存在大量取代基时，过渡态计算通常非常耗时。最近，基于密度泛函理论（DFT）的反应性描述符（例如Fukui指数，局部柔软度和局部亲电性）已广泛用于预测区域选择性。例如，在文献5-8中可以发现几种亚硝胺与各种亚双亲性物对1，3-DC反应
• Anthelmintic methods employing benzoyl chloride phenylhydrazones
  申请人：The Upjohn Company

  公开号：US03932661A1

  公开（公告）日：1976-01-13

  Certain benzoyl chloride phenylhydrazones have been found to be active against insects and mites, and they have also been found to be effective, broad-spectrum anthelmintics for suppressing parasitic worms in animals, particularly sheep. The benzoyl ring and the phenylhydrazone ring can be substituted with a halogen atom, a nitro group, or an alkyl group of from 1 to 6 carbon atoms, inclusive. A new class of pentahalobenzoyl chloride phenylhydrazones is described, particularly pentafluorobenzoyl chloride phenylhydrazones. The compounds are prepared by reacting a benzoic acid phenylhydrazide with phosphorus pentachloride to obtain a benzoyl chloride (dichlorophosphinyl)phenylhydrazone that is reacted with phenol to produce the desired benzoyl chloride phenylhydrazones. Certain of the compounds can be prepared by direct chlorination of a benzaldehyde phenylhydrazone. Methods of using the new compounds and new anthelmintic formulations are described. The new compound p-toluoyl chloride phenylhydrazone is effective against worms at rates at least as low as 100 mg./kg. of body weight in sheep.

  某些苯甲酰氯苯基肼已被发现对昆虫和螨虫有活性，并且它们也被发现是有效的广谱驱虫剂，用于抑制动物体内的寄生虫，尤其是羊。苯甲酰环和苯基肼环可以被卤素原子、硝基或1至6个碳原子的烷基取代。描述了一类新型的五卤苯甲酰氯苯基肼，特别是五氟苯甲酰氯苯基肼。该化合物通过将苯甲酸苯基肼与五氯化磷反应以获得苯甲酰氯（二氯膦基）苯基肼，然后再与苯酚反应，制备所需的苯甲酰氯苯基肼。其中某些化合物可以通过直接氯化苯甲醛苯基肼来制备。描述了使用新化合物和新驱虫剂配方的方法。新化合物对羊的体重至少为100毫克/千克的速率下，p-甲苯甲酰氯苯基肼对蠕虫有有效作用。
• Method of use, composition, and compounds
  申请人：The Upjohn Company

  公开号：US04017540A1

  公开（公告）日：1977-04-12

  Certain benzoyl chloride phenylhydrazones have been found to be active against insects and mites. The benzoyl ring and the phenylhydrazone ring can be substituted with a halogen atom, a nitro group, or an alkyl group of from 1 to 6 carbon atoms, inclusive. A new class of pentahalobenzoyl chloride phenylhydrazones is described, particularly pentafluorobenzoyl chloride phenylhydrazones. A further new class of alkylbenzoyl chloride phenylhydrazones, particularly p-toluoyl chloride phenylhydrazones are also described. The compounds are prepared by reacting a benzoic acid phenylhydrazide with phosphorus pentachloride to obtain a benzoyl chloride (dichlorophosphinyl)phenylhydrazone that is reacted with phenol to produce the desired benzoyl chloride phenylhydrazones. Certain of the compounds can be prepared by direct chlorination of a benzaldehyde phenylhydrazone. Methods of use and compositions are described.

  某些苯甲酰氯苯肼已被发现对昆虫和螨虫具有活性。苯甲酰环和苯肼环可被卤素原子、硝基或1至6个碳原子的烷基取代。描述了一类新的五卤苯甲酰氯苯肼，特别是五氟苯甲酰氯苯肼。还描述了一类新的烷基苯甲酰氯苯肼，特别是对甲苯甲酰氯苯肼。这些化合物是通过将苯甲酸苯肼与五氯化磷反应以获得苯甲酰氯（二氯膦基）苯肼，然后再与苯酚反应以产生所需的苯甲酰氯苯肼来制备的。其中某些化合物可以通过苯甲醛苯肼的直接氯化制备。描述了使用方法和组合物。