1,3,4,9-Tetrahydro-1-methylpyrano<3,4-b>indole-N-methylacetamide | 41339-92-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1,3,4,9-Tetrahydro-1-methylpyrano<3,4-b>indole-N-methylacetamide
• 英文别名: N,1-Dimethyl-1,3,4,9-tetrahydropyrano<3,4-b>indol-1-acetamid；N-methyl-2-(1-methyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetamide；N,1-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetamide；N-methyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetamide
• CAS: 41339-92-8
• 化学式: C₁₅H₁₈N₂O₂
• 分子量: 258.32
• InChiKey: IPOMZPMUBURYIY-UHFFFAOYSA-N

物化性质

• 熔点：
  138-140 °C
• 沸点：
  515.4±40.0 °C(Predicted)
• 密度：
  1.183±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3,4,9-Tetrahydro-1-methylpyrano<3,4-b>indole-N-methylacetamide 在 lithium aluminium tetrahydride 作用下， 生成 1-Methyl-1-<(2-methylamino)-aethyl>-1,3,4,9-tetrahydropyrano<3,4-b>indol
  参考文献：
  名称：

  Humber; Demerson; Asselin, European Journal of Medicinal Chemistry, 1975, vol. 10, # 3, p. 215 - 220

  摘要：

  DOI：
• 作为产物：
  描述：

  色醇 生成 1,3,4,9-Tetrahydro-1-methylpyrano<3,4-b>indole-N-methylacetamide
  参考文献：
  名称：

  Chemistry and antiinflammatory activities of prodolic acid and related 1,3,4,9-tetrahydropyrano[3,4-b]indole-1-alkanoic acids. 1

  摘要：

  The synthesis and antiinflammatory activities of a series of 23 novel 1,3,4,9-tetrahydropyrano[3,4-b]indole-1-alkanoic acids are described and some relationships between structure and activity are discussed. One of these compounds, 1,3,4,9-tetrahydro-1-propylpyrano[3,4-b]indole-1-acetic acid (prodolic acid, USAN), has been selected for further studies.

  DOI：

  10.1021/jm00236a017

文献信息

• Chemistry and antiinflammatory activities of prodolic acid and related 1,3,4,9-tetrahydropyrano[3,4-b]indole-1-alkanoic acids. 1
  作者：Christopher A. Demerson、Leslie G. Humber、Thomas A. Dobson、Rene R. Martel

  DOI：10.1021/jm00236a017

  日期：1975.2

  The synthesis and antiinflammatory activities of a series of 23 novel 1,3,4,9-tetrahydropyrano[3,4-b]indole-1-alkanoic acids are described and some relationships between structure and activity are discussed. One of these compounds, 1,3,4,9-tetrahydro-1-propylpyrano[3,4-b]indole-1-acetic acid (prodolic acid, USAN), has been selected for further studies.
• DEMERSON C. A.; HUMBER, L. G.; DOBSON T. A.; MARTEL R. R., J. MED. CHEM. <JMCM-AR>, 1975, 18, NO 2, 189-191
  作者：DEMERSON C. A.、 HUMBER, L. G.、 DOBSON T. A.、 MARTEL R. R.

  DOI：——

  日期：——
• HUMBER L G.; DEMMERSON C. A.; ASSELIN A. A.; CHAREST M.-P.; PELZ K., EUR. J. MED. CHEM., 1975, 10, NO 3, 215-220
  作者：HUMBER L G.、 DEMMERSON C. A.、 ASSELIN A. A.、 CHAREST M.-P.、 PELZ K.

  DOI：——

  日期：——
• US3939178A
  申请人：——

  公开号：US3939178A

  公开（公告）日：1976-02-17
• US3974179A
  申请人：——

  公开号：US3974179A

  公开（公告）日：1976-08-10