methyl 2,6-bis(4-benzyloxyphenyl)-1-phenyl-4-(phenylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate | 1130969-71-9

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: methyl 2,6-bis(4-benzyloxyphenyl)-1-phenyl-4-(phenylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate
• 英文别名: methyl 4-anilino-1-phenyl-2,6-bis(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
• CAS: 1130969-71-9
• 化学式: C₄₅H₄₀N₂O₄
• 分子量: 672.824
• InChiKey: NSHRRQCRNFXFMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  51
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-苄氧基苯甲醛 、 乙酰乙酸甲酯 、 苯胺 在 三氟乙酸 、 L-脯氨酸 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以55%的产率得到methyl 2,6-bis(4-benzyloxyphenyl)-1-phenyl-4-(phenylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate
  参考文献：
  名称：

  Organocatalyzed highly atom economic one pot synthesis of tetrahydropyridines as antimalarials

  摘要：

  A highly atom economic one pot synthesis of tetrahydropyridines was achieved by L-proline/TFA catalysed multicomponent reaction of beta-keto-esters, aromatic aldehydes and anilines. The synthesized compounds were screened against Plasmodium falciparum in vitro and one of them showed antimalarial activity with MIC as low as 0.09 mu g/mL. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.062

文献信息

• Organocatalyzed highly atom economic one pot synthesis of tetrahydropyridines as antimalarials
  作者：Mridul Misra、Swaroop Kumar Pandey、Vivek Parashar Pandey、Jyoti Pandey、Renu Tripathi、Rama Pati Tripathi

  DOI：10.1016/j.bmc.2008.11.062

  日期：2009.1

  A highly atom economic one pot synthesis of tetrahydropyridines was achieved by L-proline/TFA catalysed multicomponent reaction of beta-keto-esters, aromatic aldehydes and anilines. The synthesized compounds were screened against Plasmodium falciparum in vitro and one of them showed antimalarial activity with MIC as low as 0.09 mu g/mL. (C) 2008 Elsevier Ltd. All rights reserved.