tert-butyl ((1R,2R)-2-(3-((S)-2-(dimethylamino)-3-methylbutyl)thioureido)cyclohexyl)carbamate | 1384718-39-1

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: tert-butyl ((1R,2R)-2-(3-((S)-2-(dimethylamino)-3-methylbutyl)thioureido)cyclohexyl)carbamate
• CAS: 1384718-39-1
• 化学式: C₁₉H₃₈N₄O₂S
• 分子量: 386.602
• InChiKey: WJPRFXGDMDHAHX-BZUAXINKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  65.63
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl ((1R,2R)-2-(3-((S)-2-(dimethylamino)-3-methylbutyl)thioureido)cyclohexyl)carbamate 在 盐酸 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 1-((1R,2R)-2-aminocyclohexyl)-3-((S)-2-(dimethylamino)-3-methylbutyl)thiourea
  参考文献：
  名称：

  Target-oriented multifunctional organocatalysis for enantioselective synthesis of bicyclo[3.3.1]nona-2,6-dien-9-ones. A formal asymmetric synthesis of huperzine A

  摘要：

  A target-oriented highly enantioselective multifunctional organocatalytic approach has been developed to construct the bicycle-[3.3.1]nona-2,6-dien-9-one core of (-)-huperzine A for the first time, with up to 95% ee in the gram-scale procedure. The newly established methodology is also eligible to synthesize a variety of bicyclo[3.3.1]nona-2,6-dien-9-ones in high enantiopurities, and thus is useful for the future development of novel huperzine A analogs with medicinal interests. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.061
• 作为产物：
  描述：

  (S)-N2,N2,3-三甲基丁烷-1,2-二胺 、 N-[(1R,2R)-2-异硫氰基环己基]氨基甲酸叔丁酯 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 tert-butyl ((1R,2R)-2-(3-((S)-2-(dimethylamino)-3-methylbutyl)thioureido)cyclohexyl)carbamate
  参考文献：
  名称：

  Target-oriented multifunctional organocatalysis for enantioselective synthesis of bicyclo[3.3.1]nona-2,6-dien-9-ones. A formal asymmetric synthesis of huperzine A

  摘要：

  A target-oriented highly enantioselective multifunctional organocatalytic approach has been developed to construct the bicycle-[3.3.1]nona-2,6-dien-9-one core of (-)-huperzine A for the first time, with up to 95% ee in the gram-scale procedure. The newly established methodology is also eligible to synthesize a variety of bicyclo[3.3.1]nona-2,6-dien-9-ones in high enantiopurities, and thus is useful for the future development of novel huperzine A analogs with medicinal interests. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.061