Ethyl 5-hydroxy-1-methyl-6-pyrimidin-5-yl-2-phenylthiomethyl-1 h-indole-3-carboxylate | 1106671-48-0

• 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: Ethyl 5-hydroxy-1-methyl-6-pyrimidin-5-yl-2-phenylthiomethyl-1 h-indole-3-carboxylate
• 英文别名: ethyl 5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)-6-pyrimidin-5-ylindole-3-carboxylate
• CAS: 1106671-48-0
• 化学式: C₂₃H₂₁N₃O₃S
• 分子量: 419.504
• InChiKey: OLGZKYKFUVEIIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-哌啶甲醇 、 4-哌啶甲醇 、 N-羟乙基哌嗪 、 聚合甲醛 、 3-羟甲基-1,2,3,4-四氢异喹啉 、 D-脯氨醇 、 (S)-(-)-1,2,3,4-四氢-3-异喹啉甲醇 、 Ethyl 5-hydroxy-1-methyl-2-(methylaminomethyl)-6-pyridin-3-ylindole-3-carboxylate 、 Ethyl 5-hydroxy-1-methyl-2-phenylthiomethyl-6-cyano-1 h-indole-3-carboxylate 、 Ethyl 6-bromo-5-hydroxy-1-methyl-2-(4-fluorophenoxy)methyl-1 h-indole-3-carboxylate 、 、 、 Ethyl 2-(anilinomethyl)-5-hydroxy-1-methyl-6-phenylindole-3-carboxylate 、 Ethyl 5-hydroxy-1-methyl-6-pyrimidin-5-yl-2-phenylthiomethyl-1 h-indole-3-carboxylate 、 、 、 、 、 、 、 6-Bromo-5-hydroxy-1-methyl-2-phenoxymethyl-1H-indole-3-carboxylic acid ethyl ester 、 二甲胺 、 甲胺 、 L-脯氨醇 、 吡咯烷-2-甲醇 以 1,4-二氧六环 为溶剂， 反应 48.0h， 生成 Ethyl 5-hydroxy-1-methyl-2,4-bis(methylaminomethyl)-6-pyridin-3-ylindole-3-carboxylate 、 1-methyl-2-phenylthiomethyl-3-carbethoxy-4-dimethylaminomethyl-5-hydroxy-6-cyanoindole 、 Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(methylaminomethyl)-6-pyridin-3-ylindole-3-carboxylate 、 Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)-6-thiophen-2-ylindole-3-carboxylate 、 Ethyl 2-(anilinomethyl)-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-phenylindole-3-carboxylate 、 ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-(phenylthiomethyl)-6-(pyrimidin-5-yl)-1H-indole-3-carboxylate 、 ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)-6-(1H-pyrazol-4-yl)indole-3-carboxylate 、 Ethyl 5-hydroxy-1-methyl-4-(methylaminomethyl)-2-(phenylsulfanylmethyl)-6-pyrimidin-5-ylindole-3-carboxylate 、 Ethyl 2-(anilinomethyl)-5-hydroxy-1-methyl-4-(methylaminomethyl)-6-phenylindole-3-carboxylate 、 Ethyl 6-cyano-4-[(dimethylamino)methyl]-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 、 ethyl 6-bromo-5-hydroxy-4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1-methyl-2-(phenoxymethyl)indole-3-carboxylate 、 ethyl 6-bromo-5-hydroxy-4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1-methyl-2-(phenoxymethyl)indole-3-carboxylate 、 Ethyl 6-bromo-5-hydroxy-4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1-methyl-2-(phenoxymethyl)indole-3-carboxylate 、 Ethyl 6-(1-benzofuran-2-yl)-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 、 ethyl 4-[(dimethylamino)methyl]-5-hydroxy-6-(1H-indol-2-yl)-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 、 ethyl 4-[(dimethylamino)methyl]-5-hydroxy-6-(1H-indazol-5-yl)-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 、 Ethyl 6-cyano-5-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 、 Ethyl 6-cyano-5-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 、 Ethyl 6-bromo-2-[(4-fluorophenoxy)methyl]-5-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylindole-3-carboxylate 、 Ethyl 6-cyano-5-hydroxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 、 ethyl 4-[(dimethylamino)methyl]-5-hydroxy-6-(5-methoxy-1H-indol-2-yl)-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 、 ethyl 6-bromo-5-hydroxy-4-[[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1-methyl-2-(phenoxymethyl)indole-3-carboxylate 、 Ethyl 6-bromo-5-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1-methyl-2-[(3-methylanilino)methyl]indole-3-carboxylate 、 ethyl 6-bromo-5-hydroxy-4-[[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1-methyl-2-(phenoxymethyl)indole-3-carboxylate 、 Ethyl 5-hydroxy-4-(dimethylaminomethyl)-1-methyl-2-phenylthiomethyl-6-cyano-1 h-indole-3-carboxylate hydrochloride
  参考文献：
  名称：

  EP2036889

  摘要：

  公开号：