4-(4-chlorophenylsulfonyloxyimino)-2,6-diisopropylcyclohexa-2,5-dien-1-one | 321946-24-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-(4-chlorophenylsulfonyloxyimino)-2,6-diisopropylcyclohexa-2,5-dien-1-one
• 英文别名: 4-(4-Chlorophenylsulfonyloxyimino)-2,6-dii-propylcyclohexa-2,5-dien-1-one；[[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 4-chlorobenzenesulfonate
• CAS: 321946-24-1
• 化学式: C₁₈H₂₀ClNO₄S
• 分子量: 381.88
• InChiKey: ICSGQICNGSRKCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenylsulfonyloxyimino)-2,6-diisopropylcyclohexa-2,5-dien-1-one 在 溴 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (E)-5,6-dibromo-4-(4-chlorophenylsulfonyloxyimino)-2,6-diisopropylcyclohex-2-en-1-one 、 (Z)-5,6-dibromo-4-(4-chlorophenylsulfonyloxyimino)-2,6-diisopropylcyclohex-2-en-1-one
  参考文献：
  名称：

  Halogenation of N-substituted p-quinone monoimines and p-quinone monooxime esters: VII. Halogenation of 4-aroyl(arylsulfonyl)imino- and 4-aroyl(arylsulfonyl)-oxyimino-2,6-diisopropylcyclohexa-2,5-dien-1-ones

  摘要：

  Halogenation of 4-aroyl(arylsulfonyl)imino-2,6-diisopropylcyclohexa-2,5-dien-1-ones gave 4-aroyl(arylsulfonyl)imino-3-halo-2,6-diisopropylcyclohexa-2,5-dien- -1-ones and 4-aroyl(arylsulfonyl)imino-3,5,6-trihalo-2,6-diisopropylcyclobex-2-en-1-ones. The latter were formed as mixtures of two stereoisomers, and the isopropyl group on the sp(3)-hybridized carbon atom in one stereoisomer occupies axial position, which is untypical of such compounds. Halogenation of 4-aroyl(arylsulfonyl)oxyimino-2,6-diisopropylcyclohexa-2,5-dien-1-ones leads to the formation of the corresponding addition products with traditional trans-diaxial arrangement of the halogen atoms.

  DOI：

  10.1134/s1070428008040131
• 作为产物：
  描述：

  2,6-bis(1-methylethoxy)phenol 、 4-氯苯磺酰氯 在 三乙胺 作用下， 以 乙醚 为溶剂， 以80%的产率得到4-(4-chlorophenylsulfonyloxyimino)-2,6-diisopropylcyclohexa-2,5-dien-1-one
  参考文献：
  名称：

  Halogenation of N-substituted p-quinone monoimines and p-quinone monooxime esters: VII. Halogenation of 4-aroyl(arylsulfonyl)imino- and 4-aroyl(arylsulfonyl)-oxyimino-2,6-diisopropylcyclohexa-2,5-dien-1-ones

  摘要：

  Halogenation of 4-aroyl(arylsulfonyl)imino-2,6-diisopropylcyclohexa-2,5-dien-1-ones gave 4-aroyl(arylsulfonyl)imino-3-halo-2,6-diisopropylcyclohexa-2,5-dien- -1-ones and 4-aroyl(arylsulfonyl)imino-3,5,6-trihalo-2,6-diisopropylcyclobex-2-en-1-ones. The latter were formed as mixtures of two stereoisomers, and the isopropyl group on the sp(3)-hybridized carbon atom in one stereoisomer occupies axial position, which is untypical of such compounds. Halogenation of 4-aroyl(arylsulfonyl)oxyimino-2,6-diisopropylcyclohexa-2,5-dien-1-ones leads to the formation of the corresponding addition products with traditional trans-diaxial arrangement of the halogen atoms.

  DOI：

  10.1134/s1070428008040131