3,4-二羟基甲基苯丙胺盐酸盐 | 438625-60-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4-二羟基甲基苯丙胺盐酸盐
• 英文名称: 3,4-dihydroxymethamphetamine hydrochloride
• 英文别名: N-methyl-1-(3,4-dihydroxyphenyl)-2-aminopropane hydrochloride；3,4-dihydroxymethamphetamine；N-Methyl-3,4-dihydroxyamphetamine Hydrochloride；4-[2-(methylamino)propyl]benzene-1,2-diol;hydrochloride
• CAS: 438625-60-6
• 化学式: C₁₀H₁₅NO₂*ClH
• 分子量: 217.696
• InChiKey: RNERSRAHJMXHJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52.5
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 3,4-二羟基甲基苯丙胺盐酸盐 以 甲醇 、 乙醚 为溶剂， 生成 3,4-dimethoxymethamphetamine hydrochloride
  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：

  N-methyl-1-(3,4-dibenzyloxyphenyl)-2-aminopropane hydrochloride 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 3,4-二羟基甲基苯丙胺盐酸盐
  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

文献信息

• Synthesis and capillary electrophoretic analysis of enantiomerically enriched reference standards of MDMA and its main metabolites
  作者：Nieves Pizarro、Rafael de la Torre、Magı́ Farré、Jordi Segura、Amadeu Llebaria、Jesús Joglar

  DOI：10.1016/s0968-0896(01)00367-4

  日期：2002.4

  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.