5-hydroxy-6-methyl-9,10,11,11a-tetrahydro-8H-naphth<2',1':4,5>oxazolo<3,2-a>pyridine | 137914-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-hydroxy-6-methyl-9,10,11,11a-tetrahydro-8H-naphth<2',1':4,5>oxazolo<3,2-a>pyridine
• 英文别名: 9-methyl-17-oxa-11-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8-pentaen-8-ol
• CAS: 137914-55-7
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: KXHYNQAXJVNKFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 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-piperidino-3-methyl-1,4-naphthoquinone 以 苯 为溶剂， 生成 5-hydroxy-6-methyl-9,10,11,11a-tetrahydro-8H-naphth<2',1':4,5>oxazolo<3,2-a>pyridine
  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