2-dimethylamino-5-methyl-1,4-naphthoquinone | 143698-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-dimethylamino-5-methyl-1,4-naphthoquinone
• 英文别名: 2-(Dimethylamino)-5-methylnaphthalene-1,4-dione
• CAS: 143698-86-6
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: SLCXZXPMCVXMFN-UHFFFAOYSA-N

物化性质

• 沸点：
  364.0±42.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-dimethylamino-5-methyl-1,4-naphthoquinone 以 苯 为溶剂， 生成 3,6-Dimethyl-2,3-dihydro-1-oxa-3-aza-cyclopenta[a]naphthalen-5-ol
  参考文献：
  名称：

  Synthesis and efficiency of photolysis of methylated 2-dialkylamino- and 2-piperidino-1,4-naphthoquinones

  摘要：

  2-Dialkylamino- and 2-piperidino-1,4-naphthoquinones with a methyl group in position 3 or 5(8) of the naphthoquinones were synthesized by reacting dimethyl- and diethylamines and piperidine with 2- and 5-methyl-1,4-naphthoquinones. The quantum yields of photoconversion of the synthesized compounds in benzene were determined. A 1.2- to 6.5-fold increase of the quantum yield over that of 2-dimethylamino-1,4-napthoquinone was established. A comparison of the quantum yields with the calculated charges on the reaction centers in the excited (T1) state showed that there is not a linear relationship between them.

  DOI：

  10.1007/bf00863084
• 作为产物：
  描述：

  1,4-dihydro-1,4-dioxo-5-methylnaphthalene 、 二甲胺 在 copper (I) acetate 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 2.0h， 以27%的产率得到2-dimethylamino-5-methyl-1,4-naphthoquinone
  参考文献：
  名称：

  Synthesis and efficiency of photolysis of methylated 2-dialkylamino- and 2-piperidino-1,4-naphthoquinones

  摘要：

  2-Dialkylamino- and 2-piperidino-1,4-naphthoquinones with a methyl group in position 3 or 5(8) of the naphthoquinones were synthesized by reacting dimethyl- and diethylamines and piperidine with 2- and 5-methyl-1,4-naphthoquinones. The quantum yields of photoconversion of the synthesized compounds in benzene were determined. A 1.2- to 6.5-fold increase of the quantum yield over that of 2-dimethylamino-1,4-napthoquinone was established. A comparison of the quantum yields with the calculated charges on the reaction centers in the excited (T1) state showed that there is not a linear relationship between them.

  DOI：

  10.1007/bf00863084