(S)-2-((E)-3-Phenyl-allyl)-2H-quinoline-1-carboxylic acid phenyl ester | 502846-67-5

• 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: (S)-2-((E)-3-Phenyl-allyl)-2H-quinoline-1-carboxylic acid phenyl ester
• 英文别名: phenyl (2S)-2-[(E)-3-phenylprop-2-enyl]-2H-quinoline-1-carboxylate
• CAS: 502846-67-5
• 化学式: C₂₅H₂₁NO₂
• 分子量: 367.447
• InChiKey: JOHYUKURDVYOFR-FQTAANOTSA-N

物化性质

• 沸点：
  522.5±43.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-2-((E)-3-Phenyl-allyl)-2H-quinoline-1-carboxylic acid phenyl ester 在 palladium on activated charcoal 氢气 作用下， 以92%的产率得到2-(3-phenyl-propyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid phenyl ester
  参考文献：
  名称：

  Regio- and stereoselective α-allylation of quinolines activated by chloroformate and triflate ion by means of chiral allylsilane: a synthesis of chiral 2-substituted 1,2-dihydroquinolines

  摘要：

  Addition reactions of a chiral allylsilane to a variety of quinolines activated by phenyl chloroformate and triflate ion proceed with high regio- and stereoselectivities to afford various chiral 2-allylated 1,2-dihydroqLlinolines in good yields. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02201-3
• 作为产物：
  描述：

  氯甲酸苯酯 以 乙腈 为溶剂， 反应 5.0h， 生成 (S)-2-((E)-3-Phenyl-allyl)-2H-quinoline-1-carboxylic acid phenyl ester
  参考文献：
  名称：

  Regio- and stereoselective α-allylation of quinolines activated by chloroformate and triflate ion by means of chiral allylsilane: a synthesis of chiral 2-substituted 1,2-dihydroquinolines

  摘要：

  Addition reactions of a chiral allylsilane to a variety of quinolines activated by phenyl chloroformate and triflate ion proceed with high regio- and stereoselectivities to afford various chiral 2-allylated 1,2-dihydroqLlinolines in good yields. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02201-3