3-<4-(methoxycarbonyl)but-1-enyl>pyridine | 85691-49-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-<4-(methoxycarbonyl)but-1-enyl>pyridine
• 英文别名: methyl 5-(pyridin-3-yl)pent-4-enoate；3-(4-Methoxycarbonylbut-1-enyl)pyridine；methyl 5-pyridin-3-ylpent-4-enoate
• CAS: 85691-49-2
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: FFSJSXNOUMQHHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  288.0±28.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-<4-(methoxycarbonyl)but-1-enyl>pyridine 在 palladium on activated charcoal 过氧乙酸 、 sodium hydroxide 、 氢气 、 硫酸二甲酯 作用下， 以 甲醇 为溶剂， 90.0 ℃ 、303.98 kPa 条件下， 反应 28.5h， 生成 methyl 5-(2-cyanopyrid-5-yl)pentanoate
  参考文献：
  名称：

  Imidazo[1,5-a]pyridines: a new class of thromboxane A2 synthetase inhibitors

  摘要：

  The synthesis and structure-activity profile of a new class of potent and highly specific thromboxane A2 synthetase inhibitors is described. The most potent member of this series in vitro is determined to be imidazo[1,5-a]-pyridine-5-hexanoic acid (9).

  DOI：

  10.1021/jm00380a003
• 作为产物：
  描述：

  3-溴吡啶 、 4-戊烯酸甲酯 在 palladium diacetate 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 反应 24.0h， 生成 3-<4-(methoxycarbonyl)but-1-enyl>pyridine
  参考文献：
  名称：

  Imidazo[1,5-a]pyridines: a new class of thromboxane A2 synthetase inhibitors

  摘要：

  The synthesis and structure-activity profile of a new class of potent and highly specific thromboxane A2 synthetase inhibitors is described. The most potent member of this series in vitro is determined to be imidazo[1,5-a]-pyridine-5-hexanoic acid (9).

  DOI：

  10.1021/jm00380a003

文献信息

• Methanofullerene Synthesis via Photogenerated Fullerene Radical Anion Intermediates
  作者：Shuhei Sumino、Fukashi Matsumoto、Toshiyuki Iwai、Takatoshi Ito

  DOI：10.1021/acs.joc.1c00593

  日期：2021.6.18

  This work describes the synthesis of PCBM ([6,6]-phenyl-C61-butyric acid methyl ester) derivatives and other methanofullerene derivatives via generation of fullerene radical anions under photoirradiation and controlled by photoswitching, without preparation, a strong reducing agent, or precise control of the reaction conditions.

  这项工作描述了 PCBM（[6,6]-苯基-C 61 -丁酸甲酯）衍生物和其他甲烷富勒烯衍生物的合成，通过在光照射下产生富勒烯自由基阴离子并通过光开关控制，无需制备，强还原剂，或精确控制反应条件。
• Certain imidazo (1,5-A) pyridine aliphatic carboxylic acid derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04470986A1

  公开（公告）日：1984-09-11

  Disclosed are e.g. 5-(tetrazolylalkyl, hydroxycarbamoylalkyl)imidazo[1,5-a]-pyridines, and methods of synthesis. Said compounds are useful as selective thromboxane synthetase inhibitors for the treatment of diseases such as cerebral ischaemia, shock, thrombosis and ischaemic heart disease.

  本发明涉及例如5-（四唑基烷基，羟基甲酰胺基烷基）咪唑[1,5-a]-吡啶化合物及其合成方法。所述化合物可用作选择性血栓素合酶抑制剂，用于治疗诸如脑缺血、休克、血栓形成和缺血性心脏病等疾病。
• Substituted imidazo[1,5-A]pyridines
  申请人：Ciba-Geigy Corporation

  公开号：US04444775A1

  公开（公告）日：1984-04-24

  Disclosed are e.g. novel 5-(carboxyalkyl)imidazo[1,5-a]pyridines, their derivatives and methods of synthesis. Said compounds are useful as selective thromboxane synthetase inhibitors for the treatment of diseases such as cerebral ischaemia, shock, thrombosis and ischaemic heart disease.

  本发明涉及新型的5-(羧基烷基)咪唑[1,5-a]吡啶化合物及其衍生物和合成方法。所述化合物可用作选择性血栓素合成酶抑制剂，用于治疗脑缺血、休克、血栓形成和缺血性心脏病等疾病。
• Imidazo[1,5-a]pyridines: a new class of thromboxane A2 synthetase inhibitors
  作者：Neville F. Ford、Leslie J. Browne、Thomas Campbell、Charles Gemenden、Robert Goldstein、Candido Gude、Jan W. F. Wasley

  DOI：10.1021/jm00380a003

  日期：1985.2

  The synthesis and structure-activity profile of a new class of potent and highly specific thromboxane A2 synthetase inhibitors is described. The most potent member of this series in vitro is determined to be imidazo[1,5-a]-pyridine-5-hexanoic acid (9).