(S)-2-methylnonanoic acid | 121820-33-5

• 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: (S)-2-methylnonanoic acid
• 英文别名: (+)(S)-methyl-heptyl-acetic acid；(+)(S)-Methyl-heptyl-essigsaeure；(S)-2-Methyl-nonansaeure；(2S)-2-methylnonanoic acid
• CAS: 121820-33-5
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: KUSYIGBGHPOWEL-VIFPVBQESA-N

物化性质

• 沸点：
  271.6±8.0 °C(Predicted)
• 密度：
  0.913±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  氯化亚砜 、 (S)-2-methylnonanoic acid 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Levene; Mikeska, Journal of Biological Chemistry, 1929, vol. 84, p. 579

  摘要：

  DOI：
• 作为产物：
  描述：

  (R)-(+)-4,4-diphenyl-2-acetoxybut-3-ene 、 HEPTYLMAGNESIUM BROMIDE 在 ruthenium trichloride copper(I) bromide dimethylsulfide complex 、 sodium periodate 作用下， 以 四氢呋喃 、 四氯化碳 、 水 、 乙腈 为溶剂， 反应 3.0h， 生成 (R)-2-methylnonanoic acid 、 (S)-2-methylnonanoic acid
  参考文献：
  名称：

  An Enantioselective Route to α-Methyl Carboxylic Acids via Metal and Enzyme Catalysis

  摘要：

  Dynamic kinetic resolution of allylic alcohols to allylic acetates followed by copper-catalyzed allylic substitution gave alkenes in high yields and high optical purity. Subsequent oxidative C-C double bond cleavage afforded pharmaceutically important alpha-methyl substituted carboxylic acids in high ee.

  DOI：

  10.1021/ol702261t

文献信息

• Liver X Receptor (LXR) Modulators
  申请人：ALEXAR THERAPEUTICS, INC.

  公开号：US20160214943A1

  公开（公告）日：2016-07-28

  Described herein are liver X receptor (LXR) modulators and methods of utilizing LXR modulators in the treatment of dermal diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

  本文描述了肝X受体（LXR）调节剂以及利用LXR调节剂治疗皮肤疾病、疾患或状况的方法。还描述了含有这些化合物的药物组合物。
• COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US20210289794A1

  公开（公告）日：2021-09-23

  The invention comprises methods for decreasing colonization by a bacterium of a gut of a stink bug, the method comprising providing a composition comprising vanillin or an analog thereof; and delivering said composition to an egg from which the stink bug will hatch, whereby colonization by the bacterium within the gut of the stink bug hatched from the egg treated with the composition is decreased relative to a stink bug hatched from an untreated egg. In some embodiments, the decrease in colonization by the bacterium decreases the fitness of the stink bug, e.g., decreases reproductive ability, survival, rate of development, number of eggs, number of hatched eggs, adult emergence rate, body length, body width, body mass, or cuticle thickness. In some embodiments of the methods herein, the bacterial colonization-disrupting agent is an inhibitor of bacterial metabolism. In some embodiments, the bacterial colonization-disrupting agent is a polyhydroxyalkanoate (PHA) synthesis inhibitor.