2,6-Diisopropyl-4-N-benzolsulfonylchinonimin | 75531-74-7

• 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: 2,6-Diisopropyl-4-N-benzolsulfonylchinonimin
• 英文别名: N-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
• CAS: 75531-74-7
• 化学式: C₁₈H₂₁NO₃S
• 分子量: 331.436
• InChiKey: GIXXFVSPJPPNSX-UHFFFAOYSA-N

物化性质

• 熔点：
  70-71 °C(Solv: heptane (142-82-5))
• 沸点：
  461.7±48.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-Diisopropyl-4-N-benzolsulfonylchinonimin 在 氯 作用下， 以 氯仿 为溶剂， 以77%的产率得到3,5,6-trichloro-2,6-diisopropyl-4-(phenylsulfonylimino)cyclohex-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：

  4-Amino-2,6-diisopropyl-phenol 在 lead(IV) acetate 、 碳酸氢钠 作用下， 以 溶剂黄146 为溶剂， 生成 2,6-Diisopropyl-4-N-benzolsulfonylchinonimin
  参考文献：
  名称：

  Synthesis and¹³C NMR Spectra of N-Substituted p-Quinonimines: III. N-Arylthio- and N-Arylsulfonyl-1,4-benzoquinonimines with Enhanced Electron-donor Character of Quinoid Ring

  摘要：

  Incorporation of alkyl substituents into quinonimine fragments of N-arylthio- and N-arylsulfonyl-1,4-benzoquinonimines results in virtually equal changes in the chemical shifts of the carbon atoms from this fragment compared to those of unsubstituted and chloroderivatives. The substituents in the benzene ring also similarly affect the spectra of both groups of alkyl-substituted compounds. The pattern observed is due to the lack of a unique conjugation system, and the alterations revealed in the spectra might be caused by the changes in the geometry of the molecules.

  DOI：

  10.1023/b:rujo.0000045891.38918.40

文献信息

• Burmistrov, K. S.; Burmistrov, S. I., Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, # 7, p. 1279 - 1284
  作者：Burmistrov, K. S.、Burmistrov, S. I.

  DOI：——

  日期：——
• BURMISTROV, K. S.;TOROPIN, N. V.;BURMISTROV, S. I., YKP. XIM. ZH., 1981, 47, N 8, 853-857
  作者：BURMISTROV, K. S.、TOROPIN, N. V.、BURMISTROV, S. I.

  DOI：——

  日期：——