3,5-Dimethyl-N-chlor-benzochinonimin | 52671-63-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5-Dimethyl-N-chlor-benzochinonimin
• 英文别名: 4-Chloroimino-2,6-dimethylcyclohexa-2,5-dien-1-one
• CAS: 52671-63-3
• 化学式: C₈H₈ClNO
• 分子量: 169.611
• InChiKey: ZJWBFUHGXNPGHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-Dimethyl-N-chlor-benzochinonimin 、 2-巯基苯并恶唑 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以40%的产率得到4-{[(1,3-benzoxazol-2-yl)sulfanyl]imino}-2,6-dimethylcyclohexa-2,5-dien-1-one
  参考文献：
  名称：

  Reaction of N-chloro-1,4-benzoquinone imines with thiols

  摘要：

  N-Chloro-1,4-benzoquinone imines reacted with arenethiols to give different products, depending on the conditions and initial quinone imine structure. N-(Arylsulfanyl)-1,4-benzoquinone imines were obtained as a result of nucleophilic substitution of the chlorine atom, and 1,4-benzoquinone imines containing an aryl-sulfanyl substituent in the quinoid ring were formed according to the radical mechanism. The reactions of N-chloro-1,4-benzoquinone imines with heterocyclic thiols afforded only the corresponding chlorine substitution products.

  DOI：

  10.1134/s1070428016090062

文献信息

• US3984402A
  申请人：——

  公开号：US3984402A

  公开（公告）日：1976-10-05
• Reaction of N-chloro-1,4-benzoquinone imines with thiols
  作者：S. A. Konovalova、A. P. Avdeenko、A. A. Santalova、E. N. Lysenko、K. S. Burmistrov

  DOI：10.1134/s1070428016090062

  日期：2016.9

  N-Chloro-1,4-benzoquinone imines reacted with arenethiols to give different products, depending on the conditions and initial quinone imine structure. N-(Arylsulfanyl)-1,4-benzoquinone imines were obtained as a result of nucleophilic substitution of the chlorine atom, and 1,4-benzoquinone imines containing an aryl-sulfanyl substituent in the quinoid ring were formed according to the radical mechanism. The reactions of N-chloro-1,4-benzoquinone imines with heterocyclic thiols afforded only the corresponding chlorine substitution products.