2-(difluoro(phenylsulfonyl)methyl)-6-methoxy-1-(4-methoxybenzyl)-1,2-dihydroquinoline | 1382715-92-5

• 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: 2-(difluoro(phenylsulfonyl)methyl)-6-methoxy-1-(4-methoxybenzyl)-1,2-dihydroquinoline
• 英文别名: 2-[benzenesulfonyl(difluoro)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]-2H-quinoline
• CAS: 1382715-92-5
• 化学式: C₂₅H₂₃F₂NO₄S
• 分子量: 471.525
• InChiKey: KOUSKIDCGCKUKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(difluoro(phenylsulfonyl)methyl)-6-methoxy-1-(4-methoxybenzyl)-1,2-dihydroquinoline 在 ammonium cerium (IV) nitrate 作用下， 以 甲醇 、 水 为溶剂， 以92%的产率得到2-(difluoro(phenylsulfonyl)methyl)-6-methoxyquinoline
  参考文献：
  名称：

  Nucleophilic difluoromethylation of CN bonds in heterocycles with difluoromethyl silane reagents

  摘要：

  An efficient and straightforward nucleophilic difluoromethylation of C=N bonds in heterocycles under the activation of alkylating agents has been developed. Cyclic iminium salts derived from dihydroisoquinolines, quinolines, and pyridines were successfully difluoromethylated with sulfur-based fluoroalkyl silanes affording a series of new difluoromethylated nitrogen-containing heterocyclic compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.039
• 作为产物：
  描述：

  TMSCF2SO2Ph 、 在 potassium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.17h， 以89%的产率得到2-(difluoro(phenylsulfonyl)methyl)-6-methoxy-1-(4-methoxybenzyl)-1,2-dihydroquinoline
  参考文献：
  名称：

  Nucleophilic difluoromethylation of CN bonds in heterocycles with difluoromethyl silane reagents

  摘要：

  An efficient and straightforward nucleophilic difluoromethylation of C=N bonds in heterocycles under the activation of alkylating agents has been developed. Cyclic iminium salts derived from dihydroisoquinolines, quinolines, and pyridines were successfully difluoromethylated with sulfur-based fluoroalkyl silanes affording a series of new difluoromethylated nitrogen-containing heterocyclic compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.039