2-mercapto-pentanoic acid ethyl ester | 91983-96-9

• 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: 2-mercapto-pentanoic acid ethyl ester
• 英文别名: 2-mercapto-valeric acid ethyl ester；2-Mercapto-valeriansaeure-aethylester；2-Mercapto-valeriansaeure-ethylester；ethyl 2-sulfanylpentanoate
• CAS: 91983-96-9
• 化学式: C₇H₁₄O₂S
• 分子量: 162.253
• InChiKey: FUTTXUAGQMGQBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-mercapto-pentanoic acid ethyl ester 、 2-甲基氮丙啶 生成 5-methyl-2-propyl-thiomorpholin-3-one
  参考文献：
  名称：

  推荐的3-硫代甲酮。

  摘要：

  DOI：

  10.1021/jm00338a012
• 作为产物：
  描述：

  2-溴戊酸 在 硫酸 作用下， 生成 2-mercapto-pentanoic acid ethyl ester
  参考文献：
  名称：

  推荐的3-硫代甲酮。

  摘要：

  DOI：

  10.1021/jm00338a012

文献信息

• PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER
  申请人：Hirota Masaji

  公开号：US20120101294A1

  公开（公告）日：2012-04-26

  Disclosed is a process for producing a (fluoroalkylthio)acetic acid ester represented by the formula (3) wherein R, R 1 and R 2 have the same meanings as defined below, which comprises reacting a thioglycolic acid ester represented by the formula (1) wherein R represents a hydrogen atom or an alkyl group having 1 to 5 carbon atoms, and R 1 represents an alkyl group having 1 to 4 carbon atoms, with fluoroolefin represented by the formula (2) wherein R 2 represents a fluoroalkyl group having 1 to 5 carbon atoms, in the presence of a radical generator.

  揭示了一种生产（氟烷基硫）乙酸酯的过程，其表示为式（3），其中R，R1和R2的含义如下定义，包括将由式（1）表示的巯基乙酸酯与由式（2）表示的氟烯烃在自由基发生剂存在下反应，其中R代表氢原子或具有1至5个碳原子的烷基基团，R1代表具有1至4个碳原子的烷基基团，R2代表具有1至5个碳原子的氟烷基基团。
• Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals
  申请人：Stapper Christian

  公开号：US20050101637A1

  公开（公告）日：2005-05-12

  Provided herein are novel compounds of formula I below: in which the radicals are as defined, their physiologically acceptable salts, processes for their preparation, as well as methods of treating and/or preventing disorders of disorders of fatty acid metabolism and glucose utilization disorders, and also of disorders in which insulin resistance is involved, in a patient.

  本文提供了以下公式I的新化合物： 其中基团的定义如下，它们的生理学上可接受的盐，其制备过程，以及治疗和/或预防患者体内脂肪酸代谢和葡萄糖利用障碍，以及胰岛素抵抗相关的障碍的方法。
• CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS
  申请人：STAPPER Christian

  公开号：US20080015238A1

  公开（公告）日：2008-01-17

  Provided herein are methods for the treatment of metabolic diseases such as disorders of fatty acid metabolism and glucose utilization as well as disorders in which insulin resistance is involved, in a patient. comprising the administration of novel compounds of formula I below: in which the substituents are defined herein including their physiologically acceptable salts,

  本文提供了一种治疗代谢性疾病的方法，例如脂肪酸代谢和葡萄糖利用障碍，以及胰岛素抵抗参与的疾病，包括给患者注射以下公式I中的新化合物：其中置换基在此被定义，包括其生理上可接受的盐。
• PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2465846A1

  公开（公告）日：2012-06-20

  Disclosed is a process for producing a (fluoroalkylthio)acetic acid ester represented by the formula (3) wherein R, R1 and R2 have the same meanings as defined below, which comprises reacting a thioglycolic acid ester represented by the formula (1) wherein R represents a hydrogen atom or an alkyl group having 1 to 5 carbon atoms, and R1 represents an alkyl group having 1 to 4 carbon atoms, with fluoroolefin represented by the formula (2) wherein R2 represents a fluoroalkyl group having 1 to 5 carbon atoms, in the presence of a radical generator.

  本发明公开了一种生产由式（3）表示的（氟烷硫基）乙酸酯的工艺，其中 R、R1 和 R2 具有与下文定义相同的含义，该工艺包括在自由基发生器存在的情况下，将由式（1）表示的硫代乙醇酸酯（其中 R 代表氢原子或具有 1 至 5 个碳原子的烷基，R1 代表具有 1 至 4 个碳原子的烷基）与由式（2）表示的氟烯烃（其中 R2 代表具有 1 至 5 个碳原子的氟烷基）反应。
• Process for producing amide compounds
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2664613A1

  公开（公告）日：2013-11-20

  Disclosed is a process for producing an amide compound of the formula (6): wherein R and R2 have the same meanings as defined below, and n represents 1 or 2, which comprises oxidizing a (fluoroalkylthio)acetamide of the formula (8): wherein R represents a hydrogen atom or an alkyl group having 1 to 5 carbon atoms, and R2 represents a fluorine-containing alkyl group having 1 to 5 carbon atoms. The carbamoyl group (-CONH2) of the amide compound of the formula (6) can be converted into a cyano group (-CN)to obtain a nitrile compound of the formula (7): wherein R, R2 and n have the same meanings as defined above.

  本发明公开了一种生产式（6）酰胺化合物的工艺： 其中 R 和 R2 与下文定义的含义相同，n 代表 1 或 2，该工艺包括氧化式（8）的（氟烷基硫代）乙酰胺： 其中 R 代表氢原子或具有 1 至 5 个碳原子的烷基，R2 代表具有 1 至 5 个碳原子的含氟烷基。式（6）酰胺化合物的氨基甲酰基（-CONH2）可转化为氰基（-CN），得到式（7）腈化合物： 其中 R、R2 和 n 的含义与上述定义相同。