1-hydroxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-ethyl-5-methyl ester | 89080-41-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-hydroxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-ethyl-5-methyl ester
• 英文别名: 5-O-ethyl 3-O-methyl 1-hydroxy-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
• CAS: 89080-41-1
• 化学式: C₁₈H₂₀N₂O₇
• 分子量: 376.366
• InChiKey: KNOIAXSYLURIBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 羟胺 作用下， 以 乙醇 为溶剂， 生成 1-hydroxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-ethyl-5-methyl ester
  参考文献：
  名称：

  A MILD AND CONVENIENT ONE-POT SYNTHESIS OF 4-ARYL-N-OH-HANTZSCH ESTERS

  摘要：

  A general methodology to prepare a series of 4-Aryl-N-OH Hantzsch esters was developed. The key factor is to control the first-step of Michael addition at 0 degrees C. The method was practical to produce symmetrical and unsymmetric N-OH-Hantzsch esters in moderate yield. This class of compounds might have use in medicinal and material science.

  DOI：

  10.3987/com-13-12668

文献信息

• 1,4-Dihydropyridine derivatives
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP0093945B1

  公开（公告）日：1988-11-23
• US4495192A
  申请人：——

  公开号：US4495192A

  公开（公告）日：1985-01-22
• A MILD AND CONVENIENT ONE-POT SYNTHESIS OF 4-ARYL-N-OH-HANTZSCH ESTERS
  作者：Chun-Bao Miao、Xiao-Qiang Sun、Chun-Ping Dong、Yan-Hong Wang、Hai-Tao Yang、Qi Meng、Shu-Jiang Tu

  DOI：10.3987/com-13-12668

  日期：——

  A general methodology to prepare a series of 4-Aryl-N-OH Hantzsch esters was developed. The key factor is to control the first-step of Michael addition at 0 degrees C. The method was practical to produce symmetrical and unsymmetric N-OH-Hantzsch esters in moderate yield. This class of compounds might have use in medicinal and material science.