(R)-2-((1R,5S,7R)-4-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-7-hydroxy-5-methylcyclohept-3-en-1-yl)-N,N-diethylpropanamide | 1042986-77-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (R)-2-((1R,5S,7R)-4-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-7-hydroxy-5-methylcyclohept-3-en-1-yl)-N,N-diethylpropanamide
• CAS: 1042986-77-5
• 化学式: C₃₃H₄₉NO₃Si
• 分子量: 535.842
• InChiKey: AJCMPYWUSMORTA-CMJXUMPWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.79
• 重原子数：
  38.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (R)-2-((1R,5S,7R)-4-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-7-hydroxy-5-methylcyclohept-3-en-1-yl)-N,N-diethylpropanamide 在 四丙基高钌酸铵 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到(R)-2-((1R,5S)-4-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-5-methyl-7-oxocyclohept-3-en-1-yl)-N,N-diethylpropanamide
  参考文献：
  名称：

  Synthesis of diversifolide and structure revision

  摘要：

  The synthesis of diversifolide and its structural revision are reported. We synthesized the assigned structure of diversifolide via two methods, but the NMR spectra of the synthetic material did not match those of the natural material. Through careful investigation, we found that the spectra were identical with those of 11-epi-sundiversifolide. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.141
• 作为产物：
  描述：

  (3R,3aR,7S,8aR,Z)-6-[2-(tert-butyldiphenylsilyloxy)ethyl]-3,7-dimethyl-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one 、 二乙胺 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 以71%的产率得到(R)-2-((1R,5S,7R)-4-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-7-hydroxy-5-methylcyclohept-3-en-1-yl)-N,N-diethylpropanamide
  参考文献：
  名称：

  Synthesis of diversifolide and structure revision

  摘要：

  The synthesis of diversifolide and its structural revision are reported. We synthesized the assigned structure of diversifolide via two methods, but the NMR spectra of the synthetic material did not match those of the natural material. Through careful investigation, we found that the spectra were identical with those of 11-epi-sundiversifolide. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.141