| 1188511-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1188511-27-4
• 化学式: C₃₀H₄₆N₂O₈
• 分子量: 562.704
• InChiKey: IWMJNRJFHYBVCD-NZOQOVMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.38
• 重原子数：
  40.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  121.42
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 三溴化硼 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 以84%的产率得到Y-05460M-A
  参考文献：
  名称：

  Concise Synthesis of PM-94128 and Y-05460M-A

  摘要：

  The enantioselective total synthesis of PM-94128, a potent cytotoxin of microbial origin, was accomplished by a concise nine-step sequence of reactions in 14% overall yield from N-Boc-L-leucine. The synthesis of Y-05460M-A, a one-carbon lower homologue of PM-94128, was also achieved from N-BOC-L-valine by the same approach, which enabled its stereochemical determination.

  DOI：

  10.1021/jo9014968
• 作为产物：
  描述：

  、 (1S,3'S)-<1-(3,4-Dihydro-8-methoxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl>ammonium chloride 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 生成
  参考文献：
  名称：

  Concise Synthesis of PM-94128 and Y-05460M-A

  摘要：

  The enantioselective total synthesis of PM-94128, a potent cytotoxin of microbial origin, was accomplished by a concise nine-step sequence of reactions in 14% overall yield from N-Boc-L-leucine. The synthesis of Y-05460M-A, a one-carbon lower homologue of PM-94128, was also achieved from N-BOC-L-valine by the same approach, which enabled its stereochemical determination.

  DOI：

  10.1021/jo9014968