sodium 2-methylpentanoate | 17265-25-7

• 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: sodium 2-methylpentanoate
• 英文别名: sodium 2-methylvalerate；sodium salt of 2-methylvaleric acid；sodium;2-methylpentanoate
• CAS: 17265-25-7
• 化学式: C₆H₁₁O₂*Na
• 分子量: 138.142
• InChiKey: QRKHXHCQOKFTCB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.82
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  sodium 2-methylpentanoate 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 以95.3%的产率得到2-甲基戊酸
  参考文献：
  名称：

  PROCESSES FOR PREPARING 4-METHYL-5-NONANONE AND 4-METHYL-5-NONANOL

  摘要：

  本发明提供了一种制备下式（3）的4-甲基-5-壬酮的方法：所述方法包括至少一步，即将下式（1）的2-甲基戊二酸酐和下式（2）的n-丁基亲核试剂进行亲核取代反应，其中M代表Li、MgZ1或ZnZ1，Z1代表卤原子或n-丁基团。同时提供了一种制备下式（5）的4-甲基-5-壬醇的方法，该方法包括至少以下步骤：制备4-甲基-5-壬酮；将所得的4-甲基-5-壬酮和还原剂进行还原反应以生成4-甲基-5-壬醇（5）。

  公开号：

  US20200199052A1

文献信息

• Esterification of Carboxylic Acids by Alcohols with 2-Chloro-1,3,5-trinitrobenzene as Condensing Agent
  作者：Seiji Takimoto、Junji Inanaga、Tsutomu Katsuki、Masaru Yamaguchi

  DOI：10.1246/bcsj.54.1470

  日期：1981.5

  When mixtures of carboxylic acids or their sodium salts and alcohols were treated with 2-chloro-1,3,5-trinitrobenzene in the presence of pyridine under mild conditions, the corresponding carboxylic esters were formed. The yields and the rates of the ester formation depended on the types of the acids and the alcohols used.

  当羧酸或其钠盐和醇的混合物在吡啶存在下在温和条件下用 2-氯-1,3,5-三硝基苯处理时，形成相应的羧酸酯。酯形成的产率和速率取决于所使用的酸和醇的类型。
• New ganglioside derivatives
  申请人：FIDIA S.p.A.

  公开号：EP0167449A2

  公开（公告）日：1986-01-08

  New functional ganglioside derivatives comprising ester, amide and peracylated derivatives of gangliosides, preparation procedures therefor, pharmaceutical preparations containing the same, and the therapeutic use of the derivatives.

  由神经节苷脂的酯类、酰胺类和过酰基化衍生物组成的新型功能性神经节苷脂衍生物、其制备程序、含有这些衍生物的药物制剂以及这些衍生物的治疗用途。
• Processes for preparing 4-methyl-5-nonanone and 4-methyl-5-nonanol
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US10882805B2

  公开（公告）日：2021-01-05

  The present invention provides a process for preparing 4-methyl-5-nonanone of the following formula (3): the process comprising at least a step of subjecting 2-methylpentanoic anhydride of the following formula (1) and an n-butyl nucleophilic reagent of the following general formula (2) in which M represents Li, MgZ1, or ZnZ1, wherein Z1 represents a halogen atom or an n-butyl group, to a nucleophilic substitution. reaction Coproduce 4-methyl-5-nonanone (3), as well as a process for preparing 4-methyl-5-nonanol of the following formula (5), the process comprising at least steps of preparing 4-methyl-5-nonanone; and subjecting the obtained 4-methyl-5-nonanone and a reducing agent to a reduction reaction to produce 4-methyl-5-nonanol (5).

  本发明提供一种制备下式(3)的 4-甲基-5-壬酮的工艺：该工艺至少包括以下步骤：将下式(1)的 2-甲基戊酸酐和下式通式(2)的正丁基亲核试剂进行亲核取代，其中 M 代表 Li、MgZ1 或 ZnZ1，其中 Z1 代表卤原子或正丁基。反应 合成 4-甲基-5-壬酮（3），以及制备下式（5）的 4-甲基-5-壬醇的工艺，该工艺至少包括以下步骤：制备 4-甲基-5-壬酮；以及将得到的 4-甲基-5-壬酮和还原剂进行还原反应，生成 4-甲基-5-壬醇（5）。
• Madrahimov, Sherzod T.; Markovic, Dean; Hartwig, John F., Journal of the American Chemical Society, 2009, vol. 131, p. 7228 - 7229
  作者：Madrahimov, Sherzod T.、Markovic, Dean、Hartwig, John F.

  DOI：——

  日期：——
• Method for Producing Isomeric Hexanoic Acids From the Subsidiary Flows Arising During the Production of Pentanals
  申请人：OXEA GMBH

  公开号：US20160280625A1

  公开（公告）日：2016-09-29

  A process for preparing isomeric hexanoic acids comprising 2-methylpentanoic acid from the secondary streams obtained in the preparation of pentanals, characterized in that a) a mixture comprising linear butenes is reacted to give a pentanal mixture; b) the mixture obtained in step a) is separated into a stream enriched with 2-methylbutanal and 3-methyl-butanal, and a stream enriched with n-pentanal; c) the stream enriched with 2-methylbutanal and 3-methylbutanal of step b) is reacted with formaldehyde; d) the reaction mixture obtained after step c) is selectively reacted to give a mixture comprising 2-methylbutanal and isomeric hexanals; e) the reaction mixture is separated into a stream enriched with 2-methylbutanal and a stream enriched with a mixture of isomeric hexanals; and f) the mixture of isomeric hexanals obtained in step e) is oxidized to a mixture of isomeric hexanoic acids comprising 2-methylpentanoic acid.