| 215377-59-6

• 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
• CAS: 215377-59-6
• 化学式: C₂₄H₃₀O₈
• 分子量: 446.497
• InChiKey: GSPKHFRYBOZGDD-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.39
• 重原子数：
  32.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  100.52
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以80%的产率得到(3S*,4R*)-3-(3,4-dimethoxybenzyl)-4-(3,4-dimethoxybenzyl)-4,5-dihydro-2(3H)-furanone
  参考文献：
  名称：

  A chemoenzymatic synthesis of both enantiomers of a cis-lignan lactone

  摘要：

  The stereoselective acetylation of meso-2,3-bis(3,4-dimethoxybenzyl)butanediol by vinyl acetate in the presence of Candida antarctica lipase in benzene gave the corresponding (+)-(2S,3R) monoester (ee greater than or equal to 98%). Transesterification of meso-2,3-bis(3,4-dimethoxybenzyl)butyl diacetate, in the presence of the same enzyme, by ethanol in benzene/isopropyl ether gave the corresponding (-)-(2R,3S) monoester (ee greater than or equal to 98%). Both enantiomers of the known cis-2,3-bis(3,4-dimethoxybenzyl)butyrolactone were synthesized from these monoesters. (C) 1998 Elsevier Science Ltd. AII rights reserved.

  DOI：

  10.1016/s0957-4166(98)00299-7
• 作为产物：
  描述：

  [(2R,3S)-2,3-bis[(3,4-dimethoxyphenyl)methyl]-4-hydroxybutyl] acetate 在 重铬酸吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 90.0h， 以60%的产率得到
  参考文献：
  名称：

  A chemoenzymatic synthesis of both enantiomers of a cis-lignan lactone

  摘要：

  The stereoselective acetylation of meso-2,3-bis(3,4-dimethoxybenzyl)butanediol by vinyl acetate in the presence of Candida antarctica lipase in benzene gave the corresponding (+)-(2S,3R) monoester (ee greater than or equal to 98%). Transesterification of meso-2,3-bis(3,4-dimethoxybenzyl)butyl diacetate, in the presence of the same enzyme, by ethanol in benzene/isopropyl ether gave the corresponding (-)-(2R,3S) monoester (ee greater than or equal to 98%). Both enantiomers of the known cis-2,3-bis(3,4-dimethoxybenzyl)butyrolactone were synthesized from these monoesters. (C) 1998 Elsevier Science Ltd. AII rights reserved.

  DOI：

  10.1016/s0957-4166(98)00299-7