6-(benzo[1,3]dioxol-5-yl)methyl-3-(3,4-dimethylphenyl)-5,6-dihydro-4H-1,2-oxazine | 1119250-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 6-(benzo[1,3]dioxol-5-yl)methyl-3-(3,4-dimethylphenyl)-5,6-dihydro-4H-1,2-oxazine
• 英文别名: 6-(benzo[1,3]dioxol-5-yl)methyl-3-(4,4-dimethylphenyl)-5,6-dihydro-4H-1,2-oxazine；6-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine
• CAS: 1119250-47-3
• 化学式: C₂₀H₂₁NO₃
• 分子量: 323.392
• InChiKey: WFJLMSSQKNJYRD-UHFFFAOYSA-N

物化性质

• 沸点：
  465.1±55.0 °C(predicted)
• 密度：
  1.23±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  40
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  黄樟素 、 1,2-dimethyl-4-(1-nitrosovinyl)benzene 以 乙醇 为溶剂， 反应 1.0h， 以70%的产率得到6-(benzo[1,3]dioxol-5-yl)methyl-3-(3,4-dimethylphenyl)-5,6-dihydro-4H-1,2-oxazine
  参考文献：
  名称：

  Synthesis of new series of 5,6-dihydro-4H-1,2-oxazines via hetero Diels–Alder reaction and evaluation of antimicrobial activity

  摘要：

  A new series of 5,6-dihydro-4H-1,2-oxazines were synthesized via hetero Diels-Alder reaction of alpha-nitrosoolefins with alkenes. alpha-Nitrosoolefins were generated from ketoximes by the action of chloramine-T. The newly synthesized compounds were characterized with IR, NMR, elemental analysis and screened for their antimicrobial activity; they exhibited excellent antimicrobial activity. The minimal inhibitory concentration of the compounds was in the range of 10-35 mu g ml(-1) for bacteria and 10-40 mu g ml(-1) for fungi. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.02.027

文献信息

• Synthesis of new series of 5,6-dihydro-4H-1,2-oxazines via hetero Diels–Alder reaction and evaluation of antimicrobial activity
  作者：M.K. Manjula、K.M.L. Rai、S.L. Gaonkar、K.A. Raveesha、S. Satish

  DOI：10.1016/j.ejmech.2008.02.027

  日期：2009.1

  A new series of 5,6-dihydro-4H-1,2-oxazines were synthesized via hetero Diels-Alder reaction of alpha-nitrosoolefins with alkenes. alpha-Nitrosoolefins were generated from ketoximes by the action of chloramine-T. The newly synthesized compounds were characterized with IR, NMR, elemental analysis and screened for their antimicrobial activity; they exhibited excellent antimicrobial activity. The minimal inhibitory concentration of the compounds was in the range of 10-35 mu g ml(-1) for bacteria and 10-40 mu g ml(-1) for fungi. (C) 2008 Elsevier Masson SAS. All rights reserved.