4,4'-dimethoxy-5,6,5',6'-dimethylenedioxy-2,2'-dibenzyl chloride | 135261-37-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxy-2,2'-dibenzyl chloride
• 英文别名: 5-(chloromethyl)-4-[5-(chloromethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole
• CAS: 135261-37-9
• 化学式: C₁₈H₁₆Cl₂O₆
• 分子量: 399.227
• InChiKey: VQOWQVLNAYBCLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4,4'-dimethoxy-5,6,5',6'-dimethylenedioxy-2,2'-dibenzyl chloride 、 苯胺 以 苯 为溶剂， 反应 2.0h， 以80%的产率得到6-phenyl-3,9-dimethoxy-1,2-methylenedioxy-10,11-methylenedioxy-6,7-dihydro-5H-dibenz[c,e]azepine
  参考文献：
  名称：

  Synthesis and antihepatotoxicity of some Wuweizisu analogues

  摘要：

  A preparation of dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate (VII) was readily achieved. It provided the advantages of specificity, simplicity, and efficiency in reactions. 6-Phenyl-3,9-dimethoxy-1,2-methylene-dioxy-10,11-methylenedioxy-6,7-dihydro-5H-dibenz(c, e)azepin (X) was successfully synthesized from VII (DDB) and its liver-protective property proved to be more effective than DDB and silymarin in the in vitro test of carbon tetrachloride-induced damage of primary cultured rat hepatocytes.

  DOI：

  10.1016/0223-5234(92)90148-t
• 作为产物：
  描述：

  (7,7′-dimethoxy-[4,4′-bibenzo[d][1,3]dioxole]-5,5′-diyl)dimethanol 在 六氯丙酮 、 三苯基膦 作用下， 反应 0.33h， 以51%的产率得到4,4'-dimethoxy-5,6,5',6'-dimethylenedioxy-2,2'-dibenzyl chloride
  参考文献：
  名称：

  Synthesis and antihepatotoxicity of some Wuweizisu analogues

  摘要：

  A preparation of dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate (VII) was readily achieved. It provided the advantages of specificity, simplicity, and efficiency in reactions. 6-Phenyl-3,9-dimethoxy-1,2-methylene-dioxy-10,11-methylenedioxy-6,7-dihydro-5H-dibenz(c, e)azepin (X) was successfully synthesized from VII (DDB) and its liver-protective property proved to be more effective than DDB and silymarin in the in vitro test of carbon tetrachloride-induced damage of primary cultured rat hepatocytes.

  DOI：

  10.1016/0223-5234(92)90148-t