diethyl (3-indolyl)phenylmethylaminomalonate | 171813-48-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethyl (3-indolyl)phenylmethylaminomalonate
• 英文别名: diethyl 2-amino-2-[1H-indol-3-yl(phenyl)methyl]propanedioate
• CAS: 171813-48-2
• 化学式: C₂₂H₂₄N₂O₄
• 分子量: 380.444
• InChiKey: HMGJCAYPLWZATK-UHFFFAOYSA-N

物化性质

• 沸点：
  539.7±45.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  94.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl (3-indolyl)phenylmethylaminomalonate 在 lithium chloride 作用下， 以 水 、 溶剂黄146 、 二甲基亚砜 为溶剂， 反应 79.0h， 生成 ethyl (3S,4S)-4-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylate
  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
• 作为产物：
  描述：

  diethyl (3-indolyl)phenylmethylformamidomalonate 在 盐酸 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 24.0h， 以81%的产率得到diethyl (3-indolyl)phenylmethylaminomalonate
  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

• TETRACYCLIC COMPOUNDS AS PDE5-INHIBITORS
  申请人：Lilly Icos LLC

  公开号：EP1401449B1

  公开（公告）日：2007-04-25
• 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.