(1R,2R,4R)-2-allyl-5-hydroxy-1-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(triisopropylsilyloxy)methyl]pentyl acetate | 934220-09-4

• 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: (1R,2R,4R)-2-allyl-5-hydroxy-1-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(triisopropylsilyloxy)methyl]pentyl acetate
• CAS: 934220-09-4
• 化学式: C₃₆H₅₆O₈Si
• 分子量: 644.921
• InChiKey: MGPXIMNSDHTNGE-DIBAMSBLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.45
• 重原子数：
  45.0
• 可旋转键数：
  19.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  92.68
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (1R,2R,4R)-2-allyl-5-hydroxy-1-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(triisopropylsilyloxy)methyl]pentyl acetate 在 bis-triphenylphosphine-palladium(II) chloride 四丁基氟化铵 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2R,3R,5R)-5-[(R)-(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：

  在 吡啶 、 锂硼氢 、 甲酸 、 4 A molecular sieve 、 双(三甲基硅烷基)氨基钾 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 甲苯 为溶剂， 生成 (1R,2R,4R)-2-allyl-5-hydroxy-1-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(triisopropylsilyloxy)methyl]pentyl acetate
  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