tert-butyl N-[(3S,11bS)-3-[[3-(fluoromethyl)-4-hydroxybutanoyl]amino]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: tert-butyl N-[(3S,11bS)-3-[[3-(fluoromethyl)-4-hydroxybutanoyl]amino]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]carbamate
• 化学式: C₂₅H₃₈FN₃O₆
• 分子量: 495.6
• InChiKey: ORANMAHDSWWRLM-YIGDWTTGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20140187785A1

  公开（公告）日：2014-07-03

  The invention relates to a process for the preparation of pyrido[2,1-a]isoquinoline derivatives of the formula wherein R 2 , R 3 and R 4 are as defined in the specification, comprising the steps of a) catalytic asymmetric hydrogenation of an enamine of the formula wherein R 1 is lower alkyl, in the presence of a transition metal catalyst containing a chiral diphosphane ligand, b) introduction of an amino protecting group Prot and c) amidation of the ester to form an amide of formula wherein R 2 , R 3 , R 4 and Prot are as defined in the specification.