14-[(4-Nitrophenyl)methyl]-4,12-dioxa-14,17-diazahexacyclo[11.11.1.02,11.05,10.015,24.016,21]pentacosa-2(11),5,7,9,15(24),16(21),17,19,22-nonaen-3-one | 1296206-42-2

• 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: 14-[(4-Nitrophenyl)methyl]-4,12-dioxa-14,17-diazahexacyclo[11.11.1.02,11.05,10.015,24.016,21]pentacosa-2(11),5,7,9,15(24),16(21),17,19,22-nonaen-3-one
• 英文别名: 14-[(4-nitrophenyl)methyl]-4,12-dioxa-14,17-diazahexacyclo[11.11.1.02,11.05,10.015,24.016,21]pentacosa-2(11),5,7,9,15(24),16(21),17,19,22-nonaen-3-one
• CAS: 1296206-42-2
• 化学式: C₂₈H₁₉N₃O₅
• 分子量: 477.476
• InChiKey: YOOUDVZRNXVRAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  36
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  97.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  对硝基溴化苄 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 36.0h， 生成 14-[(4-Nitrophenyl)methyl]-4,12-dioxa-14,17-diazahexacyclo[11.11.1.02,11.05,10.015,24.016,21]pentacosa-2(11),5,7,9,15(24),16(21),17,19,22-nonaen-3-one
  参考文献：
  名称：

  The unprecedented C-alkylation and tandem C-/O-alkylation of phenanthrolinium salts with cyclic 1,3-dicarbonyl compounds

  摘要：

  N-p-Nitrobenzyl- or N-phenacylphenanthrolinium bromides reacted with a series of cyclic 1,3-dicarbonyl compounds in acetonitrile in the presence of triethylamine as base catalyst to give the unprecedented C-alkylated products and tandem alkylated/intramolecular O-alkylated oxazabicyclic compounds according to the structure of cyclic 1,3-dicarbonyl compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.02.063

文献信息

• The unprecedented C-alkylation and tandem C-/O-alkylation of phenanthrolinium salts with cyclic 1,3-dicarbonyl compounds
  作者：Hui Li、Chao-Guo Yan

  DOI：10.1016/j.tet.2011.02.063

  日期：2011.4

  N-p-Nitrobenzyl- or N-phenacylphenanthrolinium bromides reacted with a series of cyclic 1,3-dicarbonyl compounds in acetonitrile in the presence of triethylamine as base catalyst to give the unprecedented C-alkylated products and tandem alkylated/intramolecular O-alkylated oxazabicyclic compounds according to the structure of cyclic 1,3-dicarbonyl compounds. (C) 2011 Elsevier Ltd. All rights reserved.