3,3-diethoxycarbonyl-1'-methyl-4-phenyl-1,2,3,4-tetrahydropspiro<β-carboline-1,4'-piperidine>

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 3,3-diethoxycarbonyl-1'-methyl-4-phenyl-1,2,3,4-tetrahydropspiro<β-carboline-1,4'-piperidine>
• 英文别名: diethyl 1'-methyl-4-phenylspiro[4,9-dihydro-2H-pyrido[3,4-b]indole-1,4'-piperidine]-3,3-dicarboxylate
• 化学式: C₂₈H₃₃N₃O₄
• 分子量: 475.588
• InChiKey: BMAYMDXXGIBFBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  83.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  diethyl (3-indolyl)phenylmethylformamidomalonate 在 盐酸 作用下， 以 乙醚 、 乙醇 、 溶剂黄146 为溶剂， 反应 60.0h， 生成 3,3-diethoxycarbonyl-1'-methyl-4-phenyl-1,2,3,4-tetrahydropspiro<β-carboline-1,4'-piperidine>
  参考文献：
  名称：

  Synthesis and analgesic evaluation of some 1,1-disubstituted 3-carboxy-4-phenyl-1,2,3,4-tetrahydro-β-carboline derivatives

  摘要：

  New 4-phenyl-1,2,3,4-tetrahydro-beta-carbolines were synthesized from beta-phenyltryptophan ester. They were evaluated in induced pain on rodents. Amide 17b proved to be the most powerful in the series. Several compounds display significative antiinflammatory properties.

  DOI：

  10.1016/0223-5234(96)88272-9

文献信息

• Synthesis and analgesic evaluation of some 1,1-disubstituted 3-carboxy-4-phenyl-1,2,3,4-tetrahydro-β-carboline derivatives
  作者：T Nagy、L Jeannin、J Sapi、JY Laronze、P Renard、B Pfeiffer、JG Bizot-Espiard

  DOI：10.1016/0223-5234(96)88272-9

  日期：1995.1

  New 4-phenyl-1,2,3,4-tetrahydro-beta-carbolines were synthesized from beta-phenyltryptophan ester. They were evaluated in induced pain on rodents. Amide 17b proved to be the most powerful in the series. Several compounds display significative antiinflammatory properties.