2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine | 418774-59-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
• CAS: 418774-59-1
• 化学式: C₁₇H₁₉NO₃
• 分子量: 285.343
• InChiKey: HHRHPGKHCDEDDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  39.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  草酸醛 、 2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine 在 copper(II) sulfate 、 溶剂黄146 、 sodium chloride 作用下， 反应 6.5h， 以60%的产率得到18-Methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
  参考文献：
  名称：

  Synthesis and antihyperglycemic evaluation of various protoberberine derivatives

  摘要：

  Various berberine derivatives (2-17) were synthesized and their antihyperglycemic activities were evaluated in a model of beta-cell-membrane chromatography and a model of alloxan-induced diabetes mice. The results indicated that compounds 5 and 14 exhibited antihyperglycemic activity. Their structure-activity relationships were discussed. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.045
• 作为产物：
  描述：

  胡椒乙胺 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
  参考文献：
  名称：

  Synthesis and antihyperglycemic evaluation of various protoberberine derivatives

  摘要：

  Various berberine derivatives (2-17) were synthesized and their antihyperglycemic activities were evaluated in a model of beta-cell-membrane chromatography and a model of alloxan-induced diabetes mice. The results indicated that compounds 5 and 14 exhibited antihyperglycemic activity. Their structure-activity relationships were discussed. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.045