4-溴-N-(氯苯基亚甲基)-苯磺酰胺 | 4655-44-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-溴-N-(氯苯基亚甲基)-苯磺酰胺
• 英文名称: N-<4-Brom-benzolsulfonyl>-benzimid-chlorid
• 英文别名: N-(4-Bromobenzene-1-sulfonyl)benzenecarboximidoyl chloride；N-(4-bromophenyl)sulfonylbenzenecarboximidoyl chloride
• CAS: 4655-44-1
• 化学式: C₁₃H₉BrClNO₂S
• mdl: MFCD00193583
• 分子量: 358.643
• InChiKey: CFRCKJJVYIMSFW-UHFFFAOYSA-N

物化性质

• 沸点：
  463.0±47.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 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：
  54.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  4-溴-N-(氯苯基亚甲基)-苯磺酰胺 在 lead(IV) acetate 、 sodium acetate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 N'-(4-bromophenyl)sulfonyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
  参考文献：
  名称：

  摘要：

  Oxidation of N-(N-arylsulfonylimidoyl)-4-aminophenols gave the corresponding N-(N-arylsulfonylimidoyl)-1,4-benzoquinonimines, derivatives of N-aroyl- and N-acetyl-1,4-benzoquinonimines. The structure of the products was studied by the X-ray diffraction method and H-1 and C-13 NMR spectroscopy. N-(N-Arylsulfonylimidoyl)-1,4-benzoquinonimines were found to undergo fast (on the NMR time scale) Z,E isomerization about the C=N bond in the quinonimine fragment. N-(N-Arylsulfonylacetimidoyl)-1,4-benzoquinonimines in solution give rise to dynamic Z,E-isomerization with respect to the C=N bond in the N-arylsulfonylacetimidoyl fragment.

  DOI：

  10.1023/a:1012430601142

文献信息

• ——
  作者：A. P. Avdeenko、V. V. Pirozhenko、L. M. Yagupol'skii、I. L. Marchenko

  DOI：10.1023/a:1012430601142

  日期：——

  Oxidation of N-(N-arylsulfonylimidoyl)-4-aminophenols gave the corresponding N-(N-arylsulfonylimidoyl)-1,4-benzoquinonimines, derivatives of N-aroyl- and N-acetyl-1,4-benzoquinonimines. The structure of the products was studied by the X-ray diffraction method and H-1 and C-13 NMR spectroscopy. N-(N-Arylsulfonylimidoyl)-1,4-benzoquinonimines were found to undergo fast (on the NMR time scale) Z,E isomerization about the C=N bond in the quinonimine fragment. N-(N-Arylsulfonylacetimidoyl)-1,4-benzoquinonimines in solution give rise to dynamic Z,E-isomerization with respect to the C=N bond in the N-arylsulfonylacetimidoyl fragment.