3-formyloxymethyl-4-(3-methoxy-phenyl)-1-methyl-5,6-dihydro-1H-pyridin-2-one | 61527-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 3-formyloxymethyl-4-(3-methoxy-phenyl)-1-methyl-5,6-dihydro-1H-pyridin-2-one
• 英文别名: 3-Formyloxymethyl-4-(3'-methoxyphenyl)-1-methyl-5,6-dihydro-2-pyridone；[4-(3-methoxyphenyl)-1-methyl-6-oxo-2,3-dihydropyridin-5-yl]methyl formate
• CAS: 61527-91-1
• 化学式: C₁₅H₁₇NO₄
• 分子量: 275.304
• InChiKey: RYUCPJOQHNPVJS-UHFFFAOYSA-N

物化性质

• 沸点：
  466.8±45.0 °C(Predicted)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-formyloxymethyl-4-(3-methoxy-phenyl)-1-methyl-5,6-dihydro-1H-pyridin-2-one 、 原乙酸三甲酯 生成 [4-(3-methoxy-phenyl)-1-methyl-3-methylene-2-oxo-piperidin-4-yl]-acetic acid methyl ester
  参考文献：
  名称：

  RAPOPORT, H.;WELLER, D. D.;GLESS, R. D.

  摘要：

  DOI：
• 作为产物：
  描述：

  4-hydroxy-4-(3-methoxy-phenyl)-1-methyl-3-methylene-piperidin-2-one 、 甲酸 生成 3-formyloxymethyl-4-(3-methoxy-phenyl)-1-methyl-5,6-dihydro-1H-pyridin-2-one
  参考文献：
  名称：

  RAPOPORT, H.;WELLER, D. D.;GLESS, R. D.

  摘要：

  DOI：

文献信息

• Synthesis of 4A-aryl-decahydroisoquinolines
  申请人：The United States of America as represented by the Department of Health,

  公开号：US04189583A1

  公开（公告）日：1980-02-19

  This invention relates to a process for the production of 4a-aryldecahydroisoquinolines where the aryl group is selected as 3-methoxy phenyl. These compounds are morphine analogs and show utility similar to the known morphine, codeine, and thebaine. In this process particular novelty is asserted for the production of a nipecotic ester ethyl 4-(3'-methoxyphenyl)-1-methyl piperidine-3-carboxylate. Furthermore, novelty is asserted for the step of conversion of the nipecotates through cyclization to cis- or trans-tert-butyl 1,6-dioxo-4a-(3'-methoxyphenyl)-2-methyldecahydroisoquinoline-7-carboxylat e, which may also be easily converted to the keto amide, trans-1,6-dioxo-4a-(3'-methoxyphenyl)-2-methyldecahydroisoquinoline.

  本发明涉及一种制备4a-芳基十氢异喹啉的方法，其中芳基基团选择为3-甲氧基苯基。这些化合物是吗啡类似物，显示出与已知的吗啡、可待因和鸦片碱相似的效用。在这个过程中，特别是声称通过生产一种吡哆酸酯乙酯4-(3'-甲氧基苯基)-1-甲基哌啶-3-羧酸乙酯的方法具有新颖性。此外，还声称通过环化将吡哆酸酯转化为顺式或反式叔丁基1,6-二氧杂-4a-(3'-甲氧基苯基)-2-甲基十氢异喹啉-7-羧酸酯的步骤具有新颖性，该化合物也可以轻松转化为酮酰胺，即反式-1,6-二氧杂-4a-(3'-甲氧基苯基)-2-甲基十氢异喹啉。
• Synthesis of ethyl-4(3'-methoxyphenyl)-1-methyl piperidine-3-carboxylate
  申请人：The United States of America as represented by the Department of Health

  公开号：US04435572A1

  公开（公告）日：1984-03-06

  This invention relates to a process for the production of 4a-aryldecahydroisoquinolines where the aryl group is selected as 3-methoxy phenyl. These compounds are morphine analogs and show utility similar to the known morphine, codeine, and thebaine. In this process particular novelty is asserted for the production of a nipecotic ester ethyl 4-(3'-methoxyphenyl)-1-methyl piperidine-3-carboxylate. Furthermore, novelty is asserted for the step of conversion of the nipecotates through cyclization to cis- or trans-tert-butyl 1,6-dioxo-4a-(3'-methoxyphenyl)-2-methyldecahydroisoquinoline-7-carboxylat e, which may also be easily converted to the keto amide, trans-1,6-dioxo-4a-(3'-methoxyphenyl)-2-methyldecahydroisoquinoline.

  本发明涉及一种生产4a-芳基十氢异喹啉的方法，其中芳基组分选择为3-甲氧基苯基。这些化合物是吗啡的类似物，具有类似于已知的吗啡、可待因和鸦片碱的效用。在这个过程中，特别是声称通过生产一种噻吩酸酯乙酯4-（3'-甲氧基苯基）-1-甲基哌啶-3-羧酸乙酯而具有新颖性。此外，还声称通过环化将噻吩酸酯转化为顺式或反式叔丁基1,6-二氧杂-4a-（3'-甲氧基苯基）-2-甲基十氢异喹啉-7-羧酸酯，这也可轻松转化为酮酰胺，反式-1,6-二氧杂-4a-（3'-甲氧基苯基）-2-甲基十氢异喹啉。
• 4A-Aryl-decahydroisoquinolines
  申请人：The United States of America as represented by the Department of Health

  公开号：US04289882A1

  公开（公告）日：1981-09-15

  This invention relates to the production of 4a-aryldecahydroisoquinolines where the aryl group is selected as 3-methoxy phenyl and intermediates. These compounds are morphine analogs and show utility similar to the known morphine, codeine, and thebaine.

  本发明涉及以3-甲氧基苯基为选择的4a-芳基十氢异喹啉及其中间体的生产。这些化合物是吗啡类似物，显示出与已知的吗啡、可待因和鸦片碱相似的效用。
• 4a-Aryl-decahydroisoquinolines
  申请人：The United States of America as represented by the Department of Health

  公开号：US04346224A1

  公开（公告）日：1982-08-24

  This invention relates to the production of 4a-aryldecahydroisoquinolines where the aryl group is selected as 3-methoxy phenyl and intermediates. These compounds are morphine analogs and show utility similar to the known morphine, codeine, and thebaine.

  本发明涉及选择3-甲氧基苯基为芳基基团的4a-芳基十氢异喹啉及其中间体的生产。这些化合物是吗啡的类似物，并显示出类似于已知的吗啡、可待因和鸦片碱的效用。
• US4189583A
  申请人：——

  公开号：US4189583A

  公开（公告）日：1980-02-19