6-chloro-8,9,10,11-tetrahydro-5,11-diaza-bicyclo[3,3,1]nona[a]naphthalene-6,12-dione | 1224967-95-6

• 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-8,9,10,11-tetrahydro-5,11-diaza-bicyclo[3,3,1]nona[a]naphthalene-6,12-dione
• 英文别名: 3-Chloro-4,13-diazatetracyclo[11.3.1.02,11.05,10]heptadeca-2(11),3,5,7,9-pentaen-12-one
• CAS: 1224967-95-6
• 化学式: C₁₅H₁₃ClN₂O
• 分子量: 272.734
• InChiKey: PAWPTONOFKPRBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-甲基哌嗪 、 6-chloro-8,9,10,11-tetrahydro-5,11-diaza-bicyclo[3,3,1]nona[a]naphthalene-6,12-dione 反应 2.0h， 以77%的产率得到6-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-5,11-diazabicyclo[3,3,1]nona[a]naphthalene-6,12-dione
  参考文献：
  名称：

  Intramolecular Aldol Reaction of N-Acylated (2-Aminophenyl)-α-oxoacetic Acids: Rapid Access to Tri- and Tetracyclic 1,2-Dihydroquinolin-2(1H)-ones

  摘要：

  A four-step synthesis of tri- and tetracyclic 1,2-dihydroquinolin-2(1H)-ones via acylation of various substituted isatins with readily available N-Boc-protected amino-acids followed by an intramolecular aldol reaction and cyclization has been developed. The final products were obtained in moderate to excellent overall yields.

  DOI：

  10.1021/jo1003339
• 作为产物：
  描述：

  2-[2-[[2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetyl]amino]phenyl]-2-oxoacetic acid 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以82%的产率得到6-chloro-8,9,10,11-tetrahydro-5,11-diaza-bicyclo[3,3,1]nona[a]naphthalene-6,12-dione
  参考文献：
  名称：

  Intramolecular Aldol Reaction of N-Acylated (2-Aminophenyl)-α-oxoacetic Acids: Rapid Access to Tri- and Tetracyclic 1,2-Dihydroquinolin-2(1H)-ones

  摘要：

  A four-step synthesis of tri- and tetracyclic 1,2-dihydroquinolin-2(1H)-ones via acylation of various substituted isatins with readily available N-Boc-protected amino-acids followed by an intramolecular aldol reaction and cyclization has been developed. The final products were obtained in moderate to excellent overall yields.

  DOI：

  10.1021/jo1003339