6-methyl-4-[3-(2-nitrophenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl]-2H-chromen-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-methyl-4-[3-(2-nitrophenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl]-2H-chromen-2-one
• 英文别名: 6-methyl-4-[(2R,3S)-3-(2-nitrophenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]chromen-2-one
• 化学式: C₂₄H₁₈N₂O₅
• 分子量: 414.417
• InChiKey: LWQZNXWEDIQZOF-BJKOFHAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  93.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-hydroxy-N-(2-nitrobenzylidene)-aniline 、 6-methyl-4-bromomethylcoumarin 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 以85%的产率得到6-methyl-4-[3-(2-nitrophenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl]-2H-chromen-2-one
  参考文献：
  名称：

  Efficient and Convenient Synthesis of 1,4-Benzoxazines, 1,4-Benzothiazines, Spiro-1,4-benzoxazines, and Spiro-1,4-benzothiazines

  摘要：

  An efficient, convenient synthesis of 1,4-benzoxazines, 1,4-benzothiazines, spiro-1,4-benzoxazines, and spiro-1,4-benzothiazines derivatives was accomplished in good yields via the novel intramolecular cyclization mediated by mild base K2CO3 in ethanol solvent. A variety of substrates can participate in the process with good yields, making this methodology have broad applicability. All the structures of synthesized compound have been confirmed by spectral analysis. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications((R)) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.714829

文献信息

• Efficient and Convenient Synthesis of 1,4-Benzoxazines, 1,4-Benzothiazines, Spiro-1,4-benzoxazines, and Spiro-1,4-benzothiazines
  作者：Samundeeswari L. Shastri、Bahubali M. Chougala、Manohar V. Kulkarni、Lokesh A. Shastri

  DOI：10.1080/00397911.2012.714829

  日期：2013.9.17

  An efficient, convenient synthesis of 1,4-benzoxazines, 1,4-benzothiazines, spiro-1,4-benzoxazines, and spiro-1,4-benzothiazines derivatives was accomplished in good yields via the novel intramolecular cyclization mediated by mild base K2CO3 in ethanol solvent. A variety of substrates can participate in the process with good yields, making this methodology have broad applicability. All the structures of synthesized compound have been confirmed by spectral analysis. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications((R)) to view the free supplemental file.