E-5-bromopent-4-enoic acid methyl ester | 88663-51-8

• 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: E-5-bromopent-4-enoic acid methyl ester
• 英文别名: methyl (E)-5-bromopent-4-enoate
• CAS: 88663-51-8
• 化学式: C₆H₉BrO₂
• 分子量: 193.04
• InChiKey: FFZFBGWDPNWSHF-HWKANZROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  E-5-bromopent-4-enoic acid methyl ester 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：

  重氮甲烷 、 5-bromopent-4(E)-enoic acid 生成 E-5-bromopent-4-enoic acid methyl ester
  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

文献信息

• US4524151A
  申请人：——

  公开号：US4524151A

  公开（公告）日：1985-06-18
• 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.