[2-(4-Benzyloxy-3-methoxy-phenyl)-1-methyl-ethyl]-((S)-1-phenyl-ethyl)-amine | 440367-01-1

• 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: [2-(4-Benzyloxy-3-methoxy-phenyl)-1-methyl-ethyl]-((S)-1-phenyl-ethyl)-amine
• CAS: 440367-01-1
• 化学式: C₂₅H₂₉NO₂
• 分子量: 375.511
• InChiKey: CLSGGDDYXOGOKB-ANYOKISRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.56
• 重原子数：
  28.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  30.49
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [2-(4-Benzyloxy-3-methoxy-phenyl)-1-methyl-ethyl]-((S)-1-phenyl-ethyl)-amine 、 碘甲烷 在 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 64.0h， 生成 [(S)-2-(4-Benzyloxy-3-methoxy-phenyl)-1-methyl-ethyl]-methyl-((S)-1-phenyl-ethyl)-amine 、 [(R)-2-(4-Benzyloxy-3-methoxy-phenyl)-1-methyl-ethyl]-methyl-((S)-1-phenyl-ethyl)-amine
  参考文献：
  名称：

  Synthesis and capillary electrophoretic analysis of enantiomerically enriched reference standards of MDMA and its main metabolites

  摘要：

  Enantiomerically-enriched (S)-3,4-methylenedioxymethamphetamine (MDMA) and its main metabolites (S)-4-hydroxy-3-methoxymethamphetamine (HMMA) and (S)-3,4-dihydroxymethamphetamine (HHMA) were prepared for unequivocal identification of the differential enantioselective metabolism of these compounds as well as for its application in the analysis of biological samples. Capillary electrophoresis with cyclodextrin derivatives and a chemical correlation of (S)-MDMA. (S)-HMMA and (S)-HHMA has been performed to assign the absolute stereochemistry of major isomers in analytical standards enriched with such enantiomers. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00367-4
• 作为产物：
  描述：

  1-benzyloxy-2-methoxy-4-[2-nitroprop-1-enyl]benzene 在 盐酸 、 NaBH₄CN 、 三氯化铁 作用下， 以 乙醚 、 水 为溶剂， 反应 34.0h， 生成 [2-(4-Benzyloxy-3-methoxy-phenyl)-1-methyl-ethyl]-((S)-1-phenyl-ethyl)-amine
  参考文献：
  名称：

  Synthesis and capillary electrophoretic analysis of enantiomerically enriched reference standards of MDMA and its main metabolites

  摘要：

  Enantiomerically-enriched (S)-3,4-methylenedioxymethamphetamine (MDMA) and its main metabolites (S)-4-hydroxy-3-methoxymethamphetamine (HMMA) and (S)-3,4-dihydroxymethamphetamine (HHMA) were prepared for unequivocal identification of the differential enantioselective metabolism of these compounds as well as for its application in the analysis of biological samples. Capillary electrophoresis with cyclodextrin derivatives and a chemical correlation of (S)-MDMA. (S)-HMMA and (S)-HHMA has been performed to assign the absolute stereochemistry of major isomers in analytical standards enriched with such enantiomers. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00367-4