methyl 1,4-dihydro-4,4-dimethyl-1-pyridinepropanoate | 115933-01-2

• 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: methyl 1,4-dihydro-4,4-dimethyl-1-pyridinepropanoate
• 英文别名: Methyl 3-(4,4-dimethylpyridin-1-yl)propanoate
• CAS: 115933-01-2
• 化学式: C₁₁H₁₇NO₂
• 分子量: 195.261
• InChiKey: QSYQBPVNIIUSSD-UHFFFAOYSA-N

物化性质

• 沸点：
  279.4±40.0 °C(predicted)
• 密度：
  0.993±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,3-dimethylglutaraldehyde 、 3-氨基丙酸甲酯盐酸盐 在 molecular sieve 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 21.0h， 以58%的产率得到methyl 1,4-dihydro-4,4-dimethyl-1-pyridinepropanoate
  参考文献：
  名称：

  Antihypertensive dihydropyridines with 1,4,4-trisubstitution

  摘要：

  Dihydropyridines with 1,4,4-trisubstitution were synthesized and tested for antihypertensive activity in a spontaneously hypertensive rat model. This substitution pattern on the dihydropyridine nucleus differs markedly from that found most active in the structure-activity relationship established for nifedipine-like compounds. However, some were found to significantly lower blood pressure at testing doses (30 mg/kg, ip and 100 mg/kg, po) for up to 24 h. Methyl 1,4-dihydro-4,4-dimethyl-1-pyridinepropanoate (2-1), for example, lowered blood pressure 71 mmHg at 30 mg/kg, ip and the effect endured for greater than 24 h. Unlike prototypical dihydropyridines such as nifedipine, these compounds did not seem to have any effect on calcium channels.

  DOI：

  10.1021/jm00163a037

文献信息

• US4742068A
  申请人：——

  公开号：US4742068A

  公开（公告）日：1988-05-03
• Antihypertensive dihydropyridines with 1,4,4-trisubstitution
  作者：Michael J. Kukla、Henry J. Breslin、Alan Gill

  DOI：10.1021/jm00163a037

  日期：1990.1

  Dihydropyridines with 1,4,4-trisubstitution were synthesized and tested for antihypertensive activity in a spontaneously hypertensive rat model. This substitution pattern on the dihydropyridine nucleus differs markedly from that found most active in the structure-activity relationship established for nifedipine-like compounds. However, some were found to significantly lower blood pressure at testing doses (30 mg/kg, ip and 100 mg/kg, po) for up to 24 h. Methyl 1,4-dihydro-4,4-dimethyl-1-pyridinepropanoate (2-1), for example, lowered blood pressure 71 mmHg at 30 mg/kg, ip and the effect endured for greater than 24 h. Unlike prototypical dihydropyridines such as nifedipine, these compounds did not seem to have any effect on calcium channels.