(4S,6S)-1,3,4-Tribenzyl-6-phenethyl-tetrahydro-pyrimidine-2,5-dione | 505069-98-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (4S,6S)-1,3,4-Tribenzyl-6-phenethyl-tetrahydro-pyrimidine-2,5-dione
• 英文别名: (4S,6S)-1,3,4-tribenzyl-6-(2-phenylethyl)-1,3-diazinane-2,5-dione
• CAS: 505069-98-7
• 化学式: C₃₃H₃₂N₂O₂
• 分子量: 488.629
• InChiKey: OTORCCAXHMWROC-CONSDPRKSA-N

物化性质

• 沸点：
  680.2±55.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4S,6S)-1,3,4-Tribenzyl-6-phenethyl-tetrahydro-pyrimidine-2,5-dione 在 L-Selectride 作用下， 以 四氢呋喃 为溶剂， 以89%的产率得到(4S,5R,6S)-1,3,4-Tribenzyl-5-hydroxy-6-phenethyl-tetrahydro-pyrimidin-2-one
  参考文献：
  名称：

  Asymmetric Synthesis of 4,6-Disubstituted 1,2,3,4,5,6-Hexahydro-5-hydroxypyrimidin-2-ones as Potential HIV-Protease-Inhibitors

  摘要：

  The first asymmetric synthesis of potential HIV protease inhibitors of type III and IV is described. Key step of the synthesis is an auxiliary based stereoselective alkylation by means of the RAMP-/SAMP-hydrazone method starting from a readily available key building block. The synthesis is short and highly versatile in the choice of the substitution pattern as well as the absolute configuration of the products.

  DOI：

  10.3987/com-02-s(m)20
• 作为产物：
  描述：

  溴甲苯 、 2-碘代乙基苯 、 1,3-dibenzyl-1,2,3,4,5,6-hexahydropyrimidine-2,5-dione 生成 1,3,4-Tribenzyl-6-phenethyl-tetrahydro-pyrimidine-2,5-dione 、 (4S,6S)-1,3,4-Tribenzyl-6-phenethyl-tetrahydro-pyrimidine-2,5-dione 、 (4R,6R)-1,3,4-Tribenzyl-6-phenethyl-tetrahydro-pyrimidine-2,5-dione
  参考文献：
  名称：

  Asymmetric Synthesis of 4,6-Disubstituted 1,2,3,4,5,6-Hexahydro-5-hydroxypyrimidin-2-ones as Potential HIV-Protease-Inhibitors

  摘要：

  The first asymmetric synthesis of potential HIV protease inhibitors of type III and IV is described. Key step of the synthesis is an auxiliary based stereoselective alkylation by means of the RAMP-/SAMP-hydrazone method starting from a readily available key building block. The synthesis is short and highly versatile in the choice of the substitution pattern as well as the absolute configuration of the products.

  DOI：

  10.3987/com-02-s(m)20