6-chloro-2-quinolin-2-yl-2,4-dihydro-1H-3,1-benzoxazine | 1208240-61-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6-chloro-2-quinolin-2-yl-2,4-dihydro-1H-3,1-benzoxazine
• CAS: 1208240-61-2
• 化学式: C₁₇H₁₃ClN₂O
• 分子量: 296.756
• InChiKey: ZEGVQSGAVOEEEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-chloro-2-quinolin-2-yl-2,4-dihydro-1H-3,1-benzoxazine 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Facile anaerobic oxidative dehydrogenation promoted by bases: The case of copper-2,4-dihydro-1H-benzo[d][1,3]oxazine complexes

  摘要：

  Two new 2,4-dihydro-1H-benzo[d][1,3]oxazines (L-1 and L-2) were prepared by condensation of 2-quinolinecarboxaldehyde and 2-amino-benzyl alcohols and tested as N,N'-bidentate ligands toward CuCl2. Treatment of the resulting copper(II) derivatives with Et3N promoted an oxidative dehydrogenation yielding the corresponding copper(I) [Cu(L-ox)Cl] complexes, 2, (L-ox = 4H-benzo[d][1,3]oxazine). The [Cu(L-2-ox)Cl] species, 2b, was characterized by single crystal X-ray diffraction, showing a trigonal geometry at the metal center and reacted with PPh3 and CO, affording [Cu(L-2-ox)(PPh3)Cl], 4b, and [Cu(L-2-ox)(CO)Cl], 6b, respectively. The latter species, stable in the solid state, was structurally characterized by diffraction methods and showed tetrahedral coordination of the Cu(I) ion. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.10.016
• 作为产物：
  描述：

  喹啉-2-甲醛 、 2-氨基-5-氯苯甲醇 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以85%的产率得到6-chloro-2-quinolin-2-yl-2,4-dihydro-1H-3,1-benzoxazine
  参考文献：
  名称：

  Facile anaerobic oxidative dehydrogenation promoted by bases: The case of copper-2,4-dihydro-1H-benzo[d][1,3]oxazine complexes

  摘要：

  Two new 2,4-dihydro-1H-benzo[d][1,3]oxazines (L-1 and L-2) were prepared by condensation of 2-quinolinecarboxaldehyde and 2-amino-benzyl alcohols and tested as N,N'-bidentate ligands toward CuCl2. Treatment of the resulting copper(II) derivatives with Et3N promoted an oxidative dehydrogenation yielding the corresponding copper(I) [Cu(L-ox)Cl] complexes, 2, (L-ox = 4H-benzo[d][1,3]oxazine). The [Cu(L-2-ox)Cl] species, 2b, was characterized by single crystal X-ray diffraction, showing a trigonal geometry at the metal center and reacted with PPh3 and CO, affording [Cu(L-2-ox)(PPh3)Cl], 4b, and [Cu(L-2-ox)(CO)Cl], 6b, respectively. The latter species, stable in the solid state, was structurally characterized by diffraction methods and showed tetrahedral coordination of the Cu(I) ion. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.10.016