3-ethyl-2-methyl-2,3-dihydro-naphtho[2,1-d]oxazol-5-ol | 14422-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-ethyl-2-methyl-2,3-dihydro-naphtho[2,1-d]oxazol-5-ol
• 英文别名: 3-Aethyl-2-methyl-2,3-dihydro-naphth<2,1-d>oxazol-5-ol
• CAS: 14422-94-7
• 化学式: C₁₄H₁₅NO₂
• 分子量: 229.279
• InChiKey: JNGKUFPPUUZZAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  32.7
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-(二乙氨基)萘-1,4-二酮 以 苯 为溶剂， 生成 3-ethyl-2-methyl-2,3-dihydro-naphtho[2,1-d]oxazol-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