6-chloro-2-(quinolin-2-yl)-2,4-dihydro-1H-benzo[d][1,3]oxazine | 1238857-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-chloro-2-(quinolin-2-yl)-2,4-dihydro-1H-benzo[d][1,3]oxazine
• CAS: 1238857-13-0
• 化学式: C₁₇H₁₃ClN₂O
• 分子量: 296.756
• InChiKey: MTAGVRIGBORSRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  45.48
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  6-chloro-2-(quinolin-2-yl)-2,4-dihydro-1H-benzo[d][1,3]oxazine 、 mercury dichloride 以 甲醇 为溶剂， 以82%的产率得到[Hg3Cl6(6-chloro-2-(quinolin-2-yl)-2,4-dihydro-1H-benzo[d][1,3]oxazine)2]
  参考文献：
  名称：

  The Adaptable Coordination Chemistry of 6‐Chloro‐2‐(quinolin‐2‐yl)‐2,4‐dihydro‐1 H ‐benzo[ d ][1,3]oxazine Towards Zinc(II) and Mercury(II)

  摘要：

  AbstractThe coordination chemistry of 6‐chloro‐2‐(quinolin‐2‐yl)‐2,4‐dihydro‐1H‐benzo[d][1,3]oxazine (LH2) towards zinc and mercury has been explored. The ligand exhibits high versatility and provides different environments to the metal centre as a function of its diverse coordination modes. In one of the isolated and characterized complexes, [Zn(LOH)Cl2], the zinc centre is found pentacoordinated with the ligand present in an iminic “open” structure. The oxidized form, which contains the 4H‐benzo[d][1,3]oxazine part (L), is also encountered in [Zn(L)Cl2], whereas the crystal structure of the trinuclear compound [Hg3(LH2)2Cl6] shows the ligand LH2 in its original arrangement.

  DOI：

  10.1002/ejic.201000175