4-chloro-N-(1,2,2-trichlorovinyl)benzimidoyl chloride | 54683-00-0

• 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-chloro-N-(1,2,2-trichlorovinyl)benzimidoyl chloride
• 英文别名: 4-chloro-N-trichlorovinyl-benzimidoyl chloride；4-Chloro-N-(trichloroethenyl)benzene-1-carboximidoyl chloride；4-chloro-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride
• CAS: 54683-00-0
• 化学式: C₉H₄Cl₅N
• 分子量: 303.402
• InChiKey: FUWQZOIYAVUHKT-UHFFFAOYSA-N

物化性质

• 沸点：
  321.7±52.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-chloro-N-(1,2,2-trichlorovinyl)benzimidoyl chloride 在 一水合肼 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以84%的产率得到3-(4-chlorophenyl)-5-(dichloromethyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and transformations of 3-aryl-5-dichloromethyl-1H-1,2,4-triazoles

  摘要：

  A method of synthesis of 3-aryl-5-dichloromethyl-1H-1,2,4-triazoles was developed, some chemical transformations of the synthesized compounds were performed, and dichloromethyl fragment in these compounds was shown to exhibit the characteristics of aldehyde group.

  DOI：

  10.1134/s1070363210080219
• 作为产物：
  描述：

  4-氯苯甲酰胺 在 五氯化磷 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 27.0h， 生成 4-chloro-N-(1,2,2-trichlorovinyl)benzimidoyl chloride
  参考文献：
  名称：

  Concise and regioselective synthesis of 5H-imidazo[1,2-e][1,3,5]triazepines

  摘要：

  DOI：

  10.24820/ark.5550190.p011.689

文献信息

• Drach,B.S. et al., Journal of Organic Chemistry USSR (English Translation), 1975, vol. 11, p. 119 - 124
  作者：Drach,B.S. et al.

  DOI：——

  日期：——
• Drach,B.S. et al., Journal of Organic Chemistry USSR (English Translation), 1977, vol. 13, p. 1471 - 1474
  作者：Drach,B.S. et al.

  DOI：——

  日期：——
• Efficient Synthesis of 1,3,5-Benzotriazocines from Tetrachloro-2-aza-1,3-dienes
  作者：Roman Y. Vasylyshyn、Bogdan A. Demydchuk、Eduard B. Rusanov、Vladimir S. Brovarets

  DOI：10.1080/00397911.2013.836538

  日期：2014.3.4

  Easily accessible 1-aryl-2-aza-1,3-butadienes undergo a regioselective cyclocondensation with 2-(aminomethyl)aniline, giving rise to 1,3,5-benzotriazocines in good yields. The structure of the title compounds was proved with the aid of H-1 and C-13 NMR spectra and, in one case, single-crystal x-ray analysis. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]
• Concise and regioselective synthesis of 5H-imidazo[1,2-e][1,3,5]triazepines
  作者：Bohdan A. Demydchuk、Oleksandr A. Mykhalchenko、Eduard B. Rusanov、Viktoriia S. Moskvina、and Volodymyr S. Brovarets s

  DOI：10.24820/ark.5550190.p011.689

  日期：——
• Synthesis and transformations of 3-aryl-5-dichloromethyl-1H-1,2,4-triazoles
  作者：P. A. Sokolyuk、B. A. Demidchuk、V. S. Brovarets

  DOI：10.1134/s1070363210080219

  日期：2010.8

  A method of synthesis of 3-aryl-5-dichloromethyl-1H-1,2,4-triazoles was developed, some chemical transformations of the synthesized compounds were performed, and dichloromethyl fragment in these compounds was shown to exhibit the characteristics of aldehyde group.