2-bromo-4-dibromomethyl-4,5-dimethyl-2,5-cyclohexadienone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-4-dibromomethyl-4,5-dimethyl-2,5-cyclohexadienone
• 英文别名: 2-bromo-4-(dibromomethyl)-4,5-dimethylcyclohexa-2,5-dien-1-one
• 化学式: C₉H₉Br₃O
• 分子量: 372.882
• InChiKey: MYRXGAAQHUJYFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3,4-二甲基苯酚 在 sodium hydroxide 、 溴 作用下， 以 四氯化碳 、 水 为溶剂， 反应 28.0h， 生成 2-bromo-4-dibromomethyl-4,5-dimethyl-2,5-cyclohexadienone
  参考文献：
  名称：

  一些二溴甲基取代的环己二酮与分子溴的反应

  摘要：

  4-Dibromomethyl-4-methyl-2,5-cyclohexadienone and its 2- and 3-methyl-substituted derivatives react with an equimolar amount of molecular bromine in carbon tetrachloride, yielding vinyl bromination products at the alpha-position with respect to the carbonyl group. The reaction of 4-dibromomethyl-3,4-dimethyl-2,5-cyclohexadienone with a large excess of bromine, apart from the vinyl bromination product, gives the corresponding 3-bromomethyl and 3-dibromomethyl derivatives. 4-Dibromomethyl-2,4-dimethyl-2,5-cyclohexadienone takes up bromine molecule at the C-2=C-3 double bond.

  DOI：

  10.1023/a:1025589614195

文献信息

• ——
  作者：G. V. Gavrilova、A. A. Gavrilov、D. P. Krut'ko、K. P. Butin

  DOI：10.1023/a:1025589614195

  日期：——

  4-Dibromomethyl-4-methyl-2,5-cyclohexadienone and its 2- and 3-methyl-substituted derivatives react with an equimolar amount of molecular bromine in carbon tetrachloride, yielding vinyl bromination products at the alpha-position with respect to the carbonyl group. The reaction of 4-dibromomethyl-3,4-dimethyl-2,5-cyclohexadienone with a large excess of bromine, apart from the vinyl bromination product, gives the corresponding 3-bromomethyl and 3-dibromomethyl derivatives. 4-Dibromomethyl-2,4-dimethyl-2,5-cyclohexadienone takes up bromine molecule at the C-2=C-3 double bond.