(R)-crispine E | 1020411-33-9

• 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: (R)-crispine E
• 英文别名: 2-[3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propyl]guanidine
• CAS: 1020411-33-9
• 化学式: C₁₅H₂₄N₄O₂
• 分子量: 292.381
• InChiKey: FRROOMGFBCWJRP-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  94.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  tert-butyl N-[N'-[3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 (R)-crispine E
  参考文献：
  名称：

  Enantioselective synthesis of (+)-trypargine and (+)-crispine E

  摘要：

  Asymmetric transfer hydrogenation was used as a key step in the synthesis of two guanidine-derived alkaloids (+)-trypargine and (+)-crispine E. The enantiomeric compositions of key intermediates were established on the basis of H-1 NMR spectra with chiral solvating agents. The absolute stereochemistry was proven by X-ray crystallography. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.088

文献信息

• Enantioselective synthesis of (+)-trypargine and (+)-crispine E
  作者：Stefan J. Czarnocki、Krystyna Wojtasiewicz、Adam P. Jóźwiak、Jan K. Maurin、Zbigniew Czarnocki、Józef Drabowicz

  DOI：10.1016/j.tet.2008.01.088

  日期：2008.3

  Asymmetric transfer hydrogenation was used as a key step in the synthesis of two guanidine-derived alkaloids (+)-trypargine and (+)-crispine E. The enantiomeric compositions of key intermediates were established on the basis of H-1 NMR spectra with chiral solvating agents. The absolute stereochemistry was proven by X-ray crystallography. (c) 2008 Elsevier Ltd. All rights reserved.