(S)-2-Butyl-3-formyl-2H-quinoline-1-carboxylic acid methyl ester | 247139-10-2

• 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-Butyl-3-formyl-2H-quinoline-1-carboxylic acid methyl ester
• 英文别名: methyl (2S)-2-butyl-3-formyl-2H-quinoline-1-carboxylate
• CAS: 247139-10-2
• 化学式: C₁₆H₁₉NO₃
• 分子量: 273.332
• InChiKey: LPUCPHXRWUXWCV-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1R,2R)-(+)-N,N-二甲基-1,2-二苯基-1,2-二乙胺 、 (S)-2-Butyl-3-formyl-2H-quinoline-1-carboxylic acid methyl ester 以 甲苯 为溶剂， 生成 (S)-2-Butyl-3-((4R,5R)-1,3-dimethyl-4,5-diphenyl-imidazolidin-2-yl)-2H-quinoline-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Asymmetric synthesis of 1,2- and 1,4-dihydroquinolines

  摘要：

  Asymmetric synthesis of dihydroquinolines by addition of organometallic reagents on a chiral 3-quinolinyl aminal was studied. 1,2-Adducts were obtained with good regio- and diastereoselectivity. The absolute configuration for 1,2-adducts was determined by X-ray analysis and for 1,4-adducts by chemical correlation. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01172-7
• 作为产物：
  描述：

  3-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]quinoline 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 (S)-2-Butyl-3-formyl-2H-quinoline-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Asymmetric synthesis of 1,2- and 1,4-dihydroquinolines

  摘要：

  Asymmetric synthesis of dihydroquinolines by addition of organometallic reagents on a chiral 3-quinolinyl aminal was studied. 1,2-Adducts were obtained with good regio- and diastereoselectivity. The absolute configuration for 1,2-adducts was determined by X-ray analysis and for 1,4-adducts by chemical correlation. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01172-7