4-phenyl-1-<1',2',3',6'-tetrahydro-1'-methyl-4'-(1''-methyl-1''H-indol-3-yl)pyridin-3'-yl>-1,2,4-triazolidine-3,5-dione | 134745-19-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-phenyl-1-<1',2',3',6'-tetrahydro-1'-methyl-4'-(1''-methyl-1''H-indol-3-yl)pyridin-3'-yl>-1,2,4-triazolidine-3,5-dione
• 英文别名: 1-[1-methyl-4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione
• CAS: 134745-19-0
• 化学式: C₂₃H₂₃N₅O₂
• 分子量: 401.468
• InChiKey: MUCSDXRTKFVLCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-Methyl-3-<1-methyl-1,2,3,6-tetrahydro-pyridyl-(4)>-indol 、 4-苯基-1,2,4-三唑啉-3,5-二酮 、 二氯甲烷 生成 4-phenyl-1-<1',2',3',6'-tetrahydro-1'-methyl-4'-(1''-methyl-1''H-indol-3-yl)pyridin-3'-yl>-1,2,4-triazolidine-3,5-dione
  参考文献：
  名称：

  MEDION-SIMON, MERCEDES;PINDUR, ULF, HELV. CHIM. ACTA, 74,(1991) N, C. 430-437

  摘要：

  DOI：

文献信息

• New Reactions of Amino-Functionalized 3-Vinyl-1H-indoles and Tetrahydropyridin-4-yl Analogues with Dienophiles
  作者：Mercedes Medion-Simon、Ulf Pindur

  DOI：10.1002/hlca.19910740220

  日期：1991.3.13

  Reactions of 3-[2-(morpholin-4-yl)vinyl]-1H-indole (1), the 1,2-dihydro-9H-carbazole 2, as well as the 3-(tetrahydropyridin-4-yl)-1H-indoles 3a and 3b with some carbo- and heterodienophiles are described. The scope and limitations of the synthetic utility of these amino- (or homoamino)-functionalized 3-vinyl-1H-indoles are reported and some MO calculations for the qualitative prediction of their reactivities

  3- [2-（吗啉-4-基）乙烯基] -1 H-吲哚（1），1,2-二氢-9 H-咔唑2和3-（四氢吡啶-4-基）的反应）-1 H-吲哚3a和3b以及一些碳亲和异二烯亲和物。报告了这些氨基（或同氨基）官能化的3-乙烯基-1 H-吲哚的合成用途的范围和局限性，并给出了用于定性预测其反应性的一些MO计算方法。反应产生了取代产物，氧化还原产物，狄尔斯-阿尔德加合物，烯加合物和迈克尔型加合物（方案2和3）。
• Reactions of 3-(tetrahydropyrid-4-yl)-indoles with dienophiles: new heterocyclic functionalized indoles and pyrido[]annellated carbazoles
  作者：Mercedes Medio-Simon、Christian Otto、Ulf Pindur

  DOI：10.1016/s0040-4039(00)74326-7

  日期：1991.4

  First reactions of 3-(1,2,3,6-tetrahydropyrid-4-yl)-indoles 1 with a variety of carbo- and heterodienophiles are described. These reactions provide a new access to heterocyclic functionalized indoles and pyrido[c]annellated carbazoles, compounds of interest as potential antidepressive and antitumor active agents.