E-non-4-en-6-ynoic acid | 88663-52-9

• 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-non-4-en-6-ynoic acid
• 英文别名: (E)-non-4-en-6-ynoic acid
• CAS: 88663-52-9
• 化学式: C₉H₁₂O₂
• 分子量: 152.193
• InChiKey: PJNNEEAKHMAMNA-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 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：

  E-non-4-en-6-ynoic acid 在 吡啶 、 草酰氯 、 thallium (I) ethoxide 作用下， 以 苯 为溶剂， 反应 3.0h， 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：

  壬-4-烯-6-炔酸甲酯 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以82%的产率得到E-non-4-en-6-ynoic acid
  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

• 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.