(S)-4-benzyl-3-{(S)-2-[(S)-(hydroxy)(3,4-dimethoxyphenyl)methyl]-5-hexenoyl}-2-oxazolidinone | 934219-92-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-4-benzyl-3-{(S)-2-[(S)-(hydroxy)(3,4-dimethoxyphenyl)methyl]-5-hexenoyl}-2-oxazolidinone
• 英文别名: (4S)-4-benzyl-3-[(2S)-2-[(S)-(3,4-dimethoxyphenyl)-hydroxymethyl]hex-5-enoyl]-1,3-oxazolidin-2-one
• CAS: 934219-92-8
• 化学式: C₂₅H₂₉NO₆
• 分子量: 439.508
• InChiKey: FYUGDHMRJSMSOL-SXWKCWPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  85.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-4-benzyl-3-{(S)-2-[(S)-(hydroxy)(3,4-dimethoxyphenyl)methyl]-5-hexenoyl}-2-oxazolidinone 、 4-溴黎芦醚 、 3,4-Dimethoxyphenylmagnesium bromide 生成 (2S,3S,5R)-5-[(S)-(hydroxy)(3,4-dimethoxyphenyl)methyl]-3-(3,4-dimethoxycinnamyl)-2-(3,4-dimethoxyphenyl)tetrahydropyran
  参考文献：
  名称：

  Determination of the Stereochemistry of the Tetrahydropyran Sesquineolignans Morinols A and B

  摘要：

  The 7',8'-stereochemistry of the tetrahydropyran sesquineolignans morinols A and B was determined as threo via synthetic studies and by comparison of NMR data of 7',8'-threo-morinol and 7',8'-erythro-morinol. This study also confirmed that the biosynthetic process produces enantiomeric mixtures of morinols A and B. This was ascertained by comparing the specific rotations of synthesized morinols A and B with those of naturally occurring morinols A and B.

  DOI：

  10.1021/np060461j
• 作为产物：
  描述：

  5-己烯酸 在 三氟甲磺酸二丁硼 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 (S)-4-benzyl-3-{(S)-2-[(S)-(hydroxy)(3,4-dimethoxyphenyl)methyl]-5-hexenoyl}-2-oxazolidinone
  参考文献：
  名称：

  Determination of the Stereochemistry of the Tetrahydropyran Sesquineolignans Morinols A and B

  摘要：

  The 7',8'-stereochemistry of the tetrahydropyran sesquineolignans morinols A and B was determined as threo via synthetic studies and by comparison of NMR data of 7',8'-threo-morinol and 7',8'-erythro-morinol. This study also confirmed that the biosynthetic process produces enantiomeric mixtures of morinols A and B. This was ascertained by comparing the specific rotations of synthesized morinols A and B with those of naturally occurring morinols A and B.

  DOI：

  10.1021/np060461j