N-(3,5,6-tribromo-2-isopropyl-5-methyl-4-oxocyclohex-2-en-1-ylidene)benzamide | 1240334-02-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(3,5,6-tribromo-2-isopropyl-5-methyl-4-oxocyclohex-2-en-1-ylidene)benzamide
• 英文别名: N-(3,5,6-tribromo-2-isopropyl-5-methyl-4-oxo-cyclohex-2-en-1-ylidene)benzamide；N-(3,5,6-tribromo-5-methyl-4-oxo-2-propan-2-ylcyclohex-2-en-1-ylidene)benzamide
• CAS: 1240334-02-4
• 化学式: C₁₇H₁₆Br₃NO₂
• 分子量: 506.032
• InChiKey: LJWDEGXBIPZLSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  46.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(4-hydroxy-2-isopropyl-5-methylphenyl)benzamide 在 溴 作用下， 生成 N-(3,5,6-tribromo-2-isopropyl-5-methyl-4-oxocyclohex-2-en-1-ylidene)benzamide
  参考文献：
  名称：

  Halogenation of N-substituted p-quinone monoimines and p-quinone monooxime esters: X. Halogenation of N-aroyl-2,5(2,3)-dialkyl-1,4-benzoquinone monoimines and their reduction products

  摘要：

  Introduction of a strong electron-withdrawing substituent to the nitrogen atom of 2,5(2,3)-dialkyl-1,4-benzoquinone imines makes their halogenation products, the corresponding cyclohexene derivatives, very unstable and favors halogenation of methyl groups in the quinoid ring. Bromination of 4-amino-N-aroyl-2,5-dialkyl-6-bromophenols gave 2,5-dialkyl-6-benzoyloxy-3,5-dibromocyclohex-2-ene-1,4-diones.

  DOI：

  10.1134/s1070428009120094