(2R,3R)-3-(3,4-dimethoxybenzoyl)-1-(3,4-dimethoxyphenyl)-2-[(4R,5S)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-4-[(4R,5S)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]butane-1,4-dione | 500707-79-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 二苄基丁烷木脂素
• 英文名称: (2R,3R)-3-(3,4-dimethoxybenzoyl)-1-(3,4-dimethoxyphenyl)-2-[(4R,5S)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-4-[(4R,5S)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]butane-1,4-dione
• CAS: 500707-79-9
• 化学式: C₄₄H₄₆N₄O₁₀
• 分子量: 790.87
• InChiKey: FZGHRSOZAKCINB-OHJWCFNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  58
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (2R,3R)-3-(3,4-dimethoxybenzoyl)-1-(3,4-dimethoxyphenyl)-2-[(4R,5S)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-4-[(4R,5S)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]butane-1,4-dione 在 锂硼氢 作用下， 以 四氢呋喃 为溶剂， 生成 (2S,3S)-2,3-Bis<(3,4-dimethoxyphenyl)hydroxymethyl>-1,4-butanediol
  参考文献：
  名称：

  Stereoselective homocoupling of chiral 1-aroylacetyl-2-imidazolidinones by oxidation with Br2

  摘要：

  The oxidative coupling of sodium enolates of (4R,5S)-1-aroylacetyl-3,4-dimethyl-5-phenyl-2-imidazolidinones with Br-2 as the oxidant affords the R,R-dimers stereoselectively. The R,R-selectivity can be explained by a radical Coupling mechanism. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00488-3
• 作为产物：
  描述：

  (4R,5S)-1-acetyl-3,4-dimethyl-5-phenyl-2-imidazolidinone 在 sodium hydride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 (2R,3R)-3-(3,4-dimethoxybenzoyl)-1-(3,4-dimethoxyphenyl)-2-[(4R,5S)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-4-[(4R,5S)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]butane-1,4-dione
  参考文献：
  名称：

  Stereoselective homocoupling of chiral 1-aroylacetyl-2-imidazolidinones by oxidation with Br2

  摘要：

  The oxidative coupling of sodium enolates of (4R,5S)-1-aroylacetyl-3,4-dimethyl-5-phenyl-2-imidazolidinones with Br-2 as the oxidant affords the R,R-dimers stereoselectively. The R,R-selectivity can be explained by a radical Coupling mechanism. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00488-3