3,5-dimethyl-N-phenylaminocarbonyl-2,6-dichloro-1,4-benzoquinone monoimine | 1195264-61-9

• 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: 3,5-dimethyl-N-phenylaminocarbonyl-2,6-dichloro-1,4-benzoquinone monoimine
• CAS: 1195264-61-9
• 化学式: C₁₅H₁₂Cl₂N₂O₂
• 分子量: 323.178
• InChiKey: NQTRECXXRUKXEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.27
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  58.53
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3,5-dimethyl-N-phenylaminocarbonyl-2,6-dichloro-1,4-benzoquinone monoimine 在 sodium azide 、 溶剂黄146 作用下， 以35%的产率得到1-(3,5-diazido-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylurea
  参考文献：
  名称：

  Reaction of N-arylcarbamoyl-1,4-benzoquinone imines with sodium azide

  摘要：

  N-Arylcarbamoyl-1,4-benzoquinone imines reacted with sodium azide in completely regioselective fashion according to the 1,4-addition pattern with formation of 1-(3-azido-4-hydroxyphenyl)-3-arylureas. The reaction of N-arylcarbamoyl-2,6-dichloro-3,5-dimethyl-1,4-benzoquinone imines with sodium azide afforded N-arylcarbamoyl-2,6-diazido-3,5-dimethyl-1,4-benzoquinone imines as a result of nucleophilic substitution of the chlorine atoms.

  DOI：

  10.1134/s1070428014030075
• 作为产物：
  描述：

  3,5-dimethyl-N-phenylaminocarbonyl-2-chloro-1,4-benzoquinone monoimine 在 盐酸 作用下， 以 氯仿 为溶剂， 以42%的产率得到3,5-dimethyl-N-phenylaminocarbonyl-2,6-dichloro-1,4-benzoquinone monoimine
  参考文献：
  名称：

  Reaction of N-alkyl(aryl)aminocarbonyl-1,4-benzoquinone monoimines with alcohols

  摘要：

  Reactions of N-alkyl(aryl)aminocarbonyl-3,5-dimethyl-1,4-benzoquinone monoimines with alcohols led to the formation of products of 1,2-addition, quinolide compounds. They are the final products in reactions with alkyl derivatives, but in event of aryl derivatives they underwent cyclization with the subsequent elimination of the alcohol molecule to provide 4,7a-dimethyl-1-aryl-7,7a-dihydro-1H-benzimidazole-2,6-diones.

  DOI：

  10.1134/s1070428009050054