(4R,5R)-4,5-di-tert-butyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydrogen iodide | 1130601-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: (4R,5R)-4,5-di-tert-butyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydrogen iodide
• CAS: 1130601-95-4
• 化学式: C₁₂H₂₄N₂S*HI
• 分子量: 356.314
• InChiKey: FRHVNPIWLPSJBC-OZZZDHQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4R,5R)-4,5-di-tert-butyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydrogen iodide 、 甲胺 以 乙醇 为溶剂， 反应 48.0h， 以70%的产率得到N-((4R,5R)-4,5-di-tert-butylimidazolidin-2-ylidene)methanamine
  参考文献：
  名称：

  Reversal of enantioselectivity using tethered bisguanidine catalysts in the aza-Henry reaction

  摘要：

  A series of chiral guanidines were synthesized and shown to efficiently catalyze the aza-Henry reaction. Modifications of the catalyst Structure revealed important selectivity trends as well as an intriguing reversal in stereoselectivity with bisguanidine variants. These compounds were applied to the aza-Henry reaction between N-Boc imines and nitroalkanes generating the beta-nitroamines in up to 77% ee and up to 20:1 diastereoselectivity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.058
• 作为产物：
  描述：

  (4R,5R)-4,5-di-tert-butylimidazolidine-2-thione 、 碘甲烷 以 乙醇 为溶剂， 以97%的产率得到(4R,5R)-4,5-di-tert-butyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydrogen iodide
  参考文献：
  名称：

  Reversal of enantioselectivity using tethered bisguanidine catalysts in the aza-Henry reaction

  摘要：

  A series of chiral guanidines were synthesized and shown to efficiently catalyze the aza-Henry reaction. Modifications of the catalyst Structure revealed important selectivity trends as well as an intriguing reversal in stereoselectivity with bisguanidine variants. These compounds were applied to the aza-Henry reaction between N-Boc imines and nitroalkanes generating the beta-nitroamines in up to 77% ee and up to 20:1 diastereoselectivity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.058