ethyl 3,7-dimethyloctanoate | 5944-27-4

• 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: ethyl 3,7-dimethyloctanoate
• 英文别名: 3,7-dimethyloctanoic acid ethyl ester；3,7-Dimethyl-octansaeure-ethylester
• CAS: 5944-27-4
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: DGKFRSSCFLRUOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,7-二甲基辛酸 在 氯化亚砜 作用下， 反应 5.0h， 生成 ethyl 3,7-dimethyloctanoate
  参考文献：
  名称：

  Agent having neurotrophic factor-like activity

  摘要：

  公开号：

  EP2457567B1

文献信息

• AGENT HAVING NEUROTROPHIC FACTOR-LIKE ACTIVITY
  申请人：Iinuma Munekazu

  公开号：US20100204498A1

  公开（公告）日：2010-08-12

  The present invention provides a pharmaceutical agent having high safety and a neurotrophic factor-like activity, which contains, as an active ingredient, any one compound included in fatty acids each having 8 carbon atoms (C8) or having 10 carbon atoms (C10) to 12 carbon atoms (C12) or fatty acid esters thereof, such as 3,7-dimethyloctanoic acid ethyl ester, geranic acid ethyl ester, and the like, each of which has 8 carbon atoms (C8), decanoic acid methyl ester, trans-2-decenoic acid, trans-2-decenoic acid methyl ester, trans-2-decenoic acid ethyl ester, trans-2-decenoic acid-2-decenyl ester, trans-2-decenoic acid cyclohexyl ester, trans-2-decenoic acid isopropyl ester, trans-3-decenoic acid methyl ester, trans-9-decenoic acid methyl ester, and the like, each of which has 10 carbon atoms (C10), trans-10-undecenoic acid methyl ester, trans-10-undecenoic acid ethyl ester, and the like, each of which has 11 carbon atoms (C11), and dodecanoic acid, and the like, each of which has 12 carbon atoms (C12), or salts thereof or prodrugs thereof.

  本发明提供了一种具有高安全性和神经营养因子样活性的药物制剂，其包含作为活性成分的任何一种脂肪酸，其碳原子数为8（C8）或具有10个碳原子（C10）至12个碳原子（C12）的脂肪酸酯，例如3,7-二甲基辛酸乙酯，香叶酸乙酯等，每种脂肪酸均为8个碳原子（C8），癸酸甲酯，反-2-癸烯酸，反-2-癸烯酸甲酯，反-2-癸烯酸乙酯，反-2-癸烯酸-2-癸烯酯，反-2-癸烯酸环己基酯，反-2-癸烯酸异丙酯，反-3-癸烯酸甲酯，反-9-癸烯酸甲酯等，每种脂肪酸均为10个碳原子（C10），反-10-十一烯酸甲酯，反-10-十一烯酸乙酯等，每种脂肪酸均为11个碳原子（C11），以及十二烷酸等，每种脂肪酸均为12个碳原子（C12），或其盐或前药。
• Olfactory signature and odorant mixture having the same
  申请人：Yeda Research and Development Co. Ltd.

  公开号：US11062794B2

  公开（公告）日：2021-07-13

  An odorant mixture is disclosed. The odorant mixture comprises N odorant components wherein N equals at least 20. Each odorant component is characterized by a multidimensional vector of attributes. A z score of an average of characteristic distances between vectors corresponding to odorant components in the mixture and vectors corresponding to odorant components in a group of M odorant components but not in the mixture is less than 2.

  本发明公开了一种气味剂混合物。气味剂混合物包括 N 种气味剂成分，其中 N 至少等于 20。每个气味成分由一个多维属性向量表征。混合物中的气味成分对应向量与 M 组气味成分中但不在混合物中的气味成分对应向量之间的平均特征距离的 Z 值小于 2。
• Odinokov, V. N.; Kukovinets, O. S.; Sakharova, N. I., Russian Journal of Organic Chemistry, 1993, vol. 29, # 1.1, p. 24 - 30
  作者：Odinokov, V. N.、Kukovinets, O. S.、Sakharova, N. I.、Tolstikov, G. A.

  DOI：——

  日期：——
• Machleidt,H.; Grell,W., Justus Liebigs Annalen der Chemie, 1965, vol. 690, p. 79 - 97
  作者：Machleidt,H.、Grell,W.

  DOI：——

  日期：——
• OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME
  申请人：Yeda Research and Development Co. Ltd.

  公开号：US20140221269A1

  公开（公告）日：2014-08-07

  An odorant mixture is disclosed. The odorant mixture comprises N odorant components wherein N equals at least 20. Each odorant component is characterized by a multidimensional vector of attributes. A z score of an average of characteristic distances between vectors corresponding to odorant components in the mixture and vectors corresponding to odorant components in a group of M odorant components but not in the mixture is less than 2.