5-bromopent-4(E)-enoic acid | 88663-50-7

• 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: 5-bromopent-4(E)-enoic acid
• 英文别名: E-5-bromopent-4-enoic acid；(E/Z)-5-bromopent-4-enoic acid；5-Bromopent-4-enoic acid；(E)-5-bromopent-4-enoic acid
• CAS: 88663-50-7
• 化学式: C₅H₇BrO₂
• 分子量: 179.013
• InChiKey: HRLPFOBWURFZAS-DUXPYHPUSA-N

物化性质

• 沸点：
  262.6±23.0 °C(Predicted)
• 密度：
  1.591±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromopent-4(E)-enoic acid 在 bis-triphenylphosphine-palladium(II) chloride 、 二异丁基氢化铝 吡啶 、 氢氧化钾 、 正丁基锂 、 草酰氯 、 thallium (I) ethoxide 、 zinc(II) chloride 作用下， 以 甲醇 、 苯 为溶剂， 反应 7.0h， 生成 norethisterone E-non-4-en-6-ynoate
  参考文献：
  名称：

  Long-acting contraceptive agents: Norethisterone esters of polyunsaturated acids

  摘要：

  Some new derivatives of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) are described in which the 17 beta-hydroxyl group of the steroid is esterified with polyunsaturated aliphatic acids. The potential of these compounds as long-acting contraceptive agents has been evaluated.

  DOI：

  10.1016/0039-128x(83)90098-3
• 作为产物：
  描述：

  3-Bromprop-2-enyl-malonsaeure-diethylester 生成 5-bromopent-4(E)-enoic acid
  参考文献：
  名称：

  Parfenov,E.A.; Yurkevich,A.M., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, p. 2568 - 2572

  摘要：

  DOI：

文献信息

• ——
  作者：E. K. Starostin、A. V. Ignatenko、M. A. Lapitskaya、K. K. Pivnitsky、G. I. Nikishin

  DOI：10.1023/a:1011303024847

  日期：——

  A convenient method for the synthesis of omega- and (omega - 1)-acetylenic acids involves free-radical oxidative scission of cycloalkanones containing five-, six, or seven-membered cycles to give the corresponding co-olefinic acids followed by bromination of the latter and subsequent dehydrobromination under the action of alkalis.
• Long-acting contraceptive agents: Norethisterone esters of polyunsaturated acids
  作者：C.G. Francisco、R. Freire、R. Hernandez、J.A. Salazar、E. Suarez、R. Vlahov、V. Tarpanov、M. Boshkova-Ljapova、B. Milenkov、V. Stoilova、J. Vlahov、G. Snatzke、M. Kielczewski、J. Gawronski、L. Strekowski

  DOI：10.1016/0039-128x(83)90098-3

  日期：1983.3

  Some new derivatives of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) are described in which the 17 beta-hydroxyl group of the steroid is esterified with polyunsaturated aliphatic acids. The potential of these compounds as long-acting contraceptive agents has been evaluated.
• Parfenov,E.A.; Yurkevich,A.M., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, p. 2568 - 2572
  作者：Parfenov,E.A.、Yurkevich,A.M.

  DOI：——

  日期：——

表征谱图