methyl (2S)-2-[[(1S)-1-[3-[(1S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]but-3-enyl]phenyl]but-3-enyl]amino]-3-methylbutanoate | 949021-46-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (2S)-2-[[(1S)-1-[3-[(1S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]but-3-enyl]phenyl]but-3-enyl]amino]-3-methylbutanoate
• CAS: 949021-46-9
• 化学式: C₂₆H₄₀N₂O₄
• 分子量: 444.615
• InChiKey: JOUGESKMVZUDFF-ZJZGAYNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl (2S)-2-[[(1S)-1-[3-[(1S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]but-3-enyl]phenyl]but-3-enyl]amino]-3-methylbutanoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以89%的产率得到1,3-di[(1S)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino-3-buten-1-yl]benzene
  参考文献：
  名称：

  Asymmetric Synthesis of δ-Substituted α,β-Unsaturated δ-Lactams by Ring Closing Metathesis of Enantiomerically Pure N-Acryloyl-homoallylic Amines

  摘要：

  Optically pure secondary homoallylic amines, obtained by highly diastereoselective addition of allylmetal reagents to imines derived from chiral amines, were N-dealkylated, and the primary amines were converted to N-acryloyl amides. Then, ring closing metathesis gave delta-substituted delta-lactams in good overall yields.

  DOI：

  10.1021/jo0703000
• 作为产物：
  描述：

  dimethyl (2S,2'S)-2,2'-((1E,1'E)-(1,3-phenylenebis(methanylylidene))bis(azanylylidene))bis(3-methylbutanoate) 、 3-溴丙烯 在 cerium(III) chloride 、 锌 作用下， 以 四氢呋喃 为溶剂， 以72%的产率得到methyl (2S)-2-[[(1S)-1-[3-[(1S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]but-3-enyl]phenyl]but-3-enyl]amino]-3-methylbutanoate
  参考文献：
  名称：

  Asymmetric Synthesis of δ-Substituted α,β-Unsaturated δ-Lactams by Ring Closing Metathesis of Enantiomerically Pure N-Acryloyl-homoallylic Amines

  摘要：

  Optically pure secondary homoallylic amines, obtained by highly diastereoselective addition of allylmetal reagents to imines derived from chiral amines, were N-dealkylated, and the primary amines were converted to N-acryloyl amides. Then, ring closing metathesis gave delta-substituted delta-lactams in good overall yields.

  DOI：

  10.1021/jo0703000