(3S,7S,8aR)-3-(bis(4-fluorophenyl)methyl)-7-fluoro-1-iminohexahydropyrrolo[1,2-a]pyrazin-4(1H)-one | 1263267-90-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3S,7S,8aR)-3-(bis(4-fluorophenyl)methyl)-7-fluoro-1-iminohexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
• CAS: 1263267-90-8
• 化学式: C₁₅H₁₀INO₂
• 分子量: 363.154
• InChiKey: OFFUWOXUQAZEQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.24
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (3S,7S,8aR)-3-(bis(4-fluorophenyl)methyl)-7-fluoro-1-iminohexahydropyrrolo[1,2-a]pyrazin-4(1H)-one 在 臭氧 作用下， 以74%的产率得到
  参考文献：
  名称：

  Weak absolute helicity direction in Ni–salen by trans-cyclohexane-(1R,2R)-diamine

  摘要：

  Helical Ni-salen foldamers were synthesized from enantiomerically pure cyclohexane-(1R,2R)-diamine, N, N'-bis-(N-phenyl (4-diphenylphosphine)-3-salicylidenato carboxamide)-(1R,2R)-cyclohexanediamina-to-nickel(II). X-ray structural characterization of the absolute helicities observed confirms our earlier assertions, based on solution spectroscopic evidence, that trans-cyclohexane-diamine, a common component of chiral salen catalysts, is a weak director of absolute helicity for Ni-salen. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.07.044
• 作为产物：
  描述：

  benzofuran-7-carboxylic acid chloride 、 对碘苯胺 在 三乙胺 作用下， 以88%的产率得到(3S,7S,8aR)-3-(bis(4-fluorophenyl)methyl)-7-fluoro-1-iminohexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
  参考文献：
  名称：

  Weak absolute helicity direction in Ni–salen by trans-cyclohexane-(1R,2R)-diamine

  摘要：

  Helical Ni-salen foldamers were synthesized from enantiomerically pure cyclohexane-(1R,2R)-diamine, N, N'-bis-(N-phenyl (4-diphenylphosphine)-3-salicylidenato carboxamide)-(1R,2R)-cyclohexanediamina-to-nickel(II). X-ray structural characterization of the absolute helicities observed confirms our earlier assertions, based on solution spectroscopic evidence, that trans-cyclohexane-diamine, a common component of chiral salen catalysts, is a weak director of absolute helicity for Ni-salen. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.07.044