5-乙基-1-[(1S)-1-苯基乙基]-1,2,3,4-四氢吡啶 | 402852-52-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-乙基-1-[(1S)-1-苯基乙基]-1,2,3,4-四氢吡啶
• 中文别名: 苯酚6-氨基-3-甲氧基-2-甲基-(9CI)
• 英文名称: 5-Ethyl-1-((S)-1-phenyl-ethyl)-1,2,3,4-tetrahydro-pyridine
• 英文别名: 5-Ethyl-1-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydropyridine；5-ethyl-1-[(1S)-1-phenylethyl]-3,4-dihydro-2H-pyridine
• CAS: 402852-52-2
• 化学式: C₁₅H₂₁N
• 分子量: 215.338
• InChiKey: TVWUINQAPPNXQA-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-乙基-1-[(1S)-1-苯基乙基]-1,2,3,4-四氢吡啶 在 palladium on activated charcoal 盐酸 、 氢氧化钾 、 18-冠醚-6 、 氢气 作用下， 以 甲醇 为溶剂， 生成 (4aS,8aR)-4a-ethyldecahydroquinolin-7-one
  参考文献：
  名称：

  Synthesis of (−)-(1′S,4aS,8aR)- and (+)-(1′S,4aR,8aS)-4a-ethyl-1-(1′-phenylethyl)-octahydroquinolin-7-ones

  摘要：

  A synthesis of the enamine (-)-(1'S)-5-ethyl-1-(1'-phenylethyl)-1,2,3,4-tetrahydropyridine 4 and its application in a synthesis of (-)-(1'S,4aS,8aR)- and (+)-(1'S,4aR,8aS)-4a-ethyl-1-(1'-phenylethyl)-octahydroquinolin-7-ones 5 and 6 is described. In addition, an X-ray study of 6 is reported. Finally, the preparation of (4aS,8aR)-4a-ethyl-octahydroquinolin-7-one 7 is described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00391-3
• 作为产物：
  描述：

  甲基4-甲酰基己酸酯 在 lithium aluminium tetrahydride 、 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 5-乙基-1-[(1S)-1-苯基乙基]-1,2,3,4-四氢吡啶
  参考文献：
  名称：

  Synthesis of (−)-(1′S,4aS,8aR)- and (+)-(1′S,4aR,8aS)-4a-ethyl-1-(1′-phenylethyl)-octahydroquinolin-7-ones

  摘要：

  A synthesis of the enamine (-)-(1'S)-5-ethyl-1-(1'-phenylethyl)-1,2,3,4-tetrahydropyridine 4 and its application in a synthesis of (-)-(1'S,4aS,8aR)- and (+)-(1'S,4aR,8aS)-4a-ethyl-1-(1'-phenylethyl)-octahydroquinolin-7-ones 5 and 6 is described. In addition, an X-ray study of 6 is reported. Finally, the preparation of (4aS,8aR)-4a-ethyl-octahydroquinolin-7-one 7 is described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00391-3

文献信息

• Synthesis of (−)-(1′S,4aS,8aR)- and (+)-(1′S,4aR,8aS)-4a-ethyl-1-(1′-phenylethyl)-octahydroquinolin-7-ones
  作者：E. Vázquez、A. Galindo、D. Gnecco、S. Bernès

  DOI：10.1016/s0957-4166(01)00391-3

  日期：2001.8

  A synthesis of the enamine (-)-(1'S)-5-ethyl-1-(1'-phenylethyl)-1,2,3,4-tetrahydropyridine 4 and its application in a synthesis of (-)-(1'S,4aS,8aR)- and (+)-(1'S,4aR,8aS)-4a-ethyl-1-(1'-phenylethyl)-octahydroquinolin-7-ones 5 and 6 is described. In addition, an X-ray study of 6 is reported. Finally, the preparation of (4aS,8aR)-4a-ethyl-octahydroquinolin-7-one 7 is described. (C) 2001 Elsevier Science Ltd. All rights reserved.