6-propanoyloxy-2,2-dimethylhexanoic acid | 88663-23-4

• 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: 6-propanoyloxy-2,2-dimethylhexanoic acid
• 英文别名: 2,2-Dimethyl-6-(propanoyloxy)hexanoic acid；2,2-dimethyl-6-propanoyloxyhexanoic acid
• CAS: 88663-23-4
• 化学式: C₁₁H₂₀O₄
• 分子量: 216.277
• InChiKey: YAPAAZSIYGSRBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-propanoyloxy-2,2-dimethylhexanoic acid 在 五氯化磷 、 thallium (I) ethoxide 作用下， 以 乙醚 为溶剂， 生成 norethisterone 2,2-dimethyl-6-propanoyloxyhexanoate
  参考文献：
  名称：

  Long-acting contraceptive agents: Esters of norethisterone with α- and/or β-chain branching

  摘要：

  The synthesis of eighteen esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) is described. These all possess some form of alpha- and/or beta-substitution in the ester side-chain. The work was undertaken in order to evaluate any long-acting fertility control effect intrinsic in such compounds. A pentamethyl disiloxy ether was also included in the group of substances prepared for testing because of its similar substitution pattern.

  DOI：

  10.1016/0039-128x(83)90096-x
• 作为产物：
  描述：

  4-bromobutyl propionate 、 异丁酸 在 正丁基锂 、 sodium hydride 、 二异丙胺 作用下， 生成 6-propanoyloxy-2,2-dimethylhexanoic acid
  参考文献：
  名称：

  Long-acting contraceptive agents: Esters of norethisterone with α- and/or β-chain branching

  摘要：

  The synthesis of eighteen esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) is described. These all possess some form of alpha- and/or beta-substitution in the ester side-chain. The work was undertaken in order to evaluate any long-acting fertility control effect intrinsic in such compounds. A pentamethyl disiloxy ether was also included in the group of substances prepared for testing because of its similar substitution pattern.

  DOI：

  10.1016/0039-128x(83)90096-x

文献信息

• Long-acting contraceptive agents: Esters of norethisterone with α- and/or β-chain branching
  作者：T.G. Watson、M. Hosking、J.E. Herz、J.V. Torres、J. Muller、A. Murillo、S. Cruz、A. Shafiee、M. Vossoghi、F. Savabi、S. Sotheeswaran、V. Puvanesarajah

  DOI：10.1016/0039-128x(83)90096-x

  日期：1983.3

  The synthesis of eighteen esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) is described. These all possess some form of alpha- and/or beta-substitution in the ester side-chain. The work was undertaken in order to evaluate any long-acting fertility control effect intrinsic in such compounds. A pentamethyl disiloxy ether was also included in the group of substances prepared for testing because of its similar substitution pattern.