4-mercaptobutyric acid ethyl ester | 70124-54-8

• 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: 4-mercaptobutyric acid ethyl ester
• 英文别名: ethyl 4-mercaptobutyrate；Et-4-mercapto-butyrat；ethyl 4-mercaptobutanoate；4-Mercapto-buttersaeure-aethylester；Ethyl 4-sulfanylbutanoate
• CAS: 70124-54-8
• 化学式: C₆H₁₂O₂S
• 分子量: 148.226
• InChiKey: WDVYWDXJAICLFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  165 °C(Press: 1.3 Torr)
• 密度：
  1.021±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  4-mercaptobutyric acid ethyl ester 在 氢氧化钾 作用下， 生成 4-巯基丁酸
  参考文献：
  名称：

  Reppe et al., Justus Liebigs Annalen der Chemie, 1955, vol. 596, p. 162,182

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯丁酸乙酯 在 乙醇 、 potassium hydrosulfide 作用下， 生成 4-mercaptobutyric acid ethyl ester
  参考文献：
  名称：

  Reppe et al., Justus Liebigs Annalen der Chemie, 1955, vol. 596, p. 162,182

  摘要：

  DOI：

文献信息

• [EN] BIARYL DERIVATIVES AS GPR120 AGONISTS<br/>[FR] DÉRIVÉS DE BIARYLE EN TANT QU'AGONISTES DE GPR120
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2014209034A1

  公开（公告）日：2014-12-31

  The present invention relates to biaryl derivatives of Formula 1, a method for preparing the same, a pharmaceutical composition comprising the same and use thereof. The biaryl derivatives of Formula 1 according to the present invention promote GLP-1 formation in the gastrointestinal tract and improve insulin resistance in the liver or in muscle due to anti-inflammatory action in macrophages, lipocytes, etc., and can accordingly be effectively used for preventing or treating diabetes, complications of diabetes, obesity, non-alcoholic fatty liver, steatohepatitis, osteoporosis or inflammation.

  本发明涉及公式1的联苯衍生物，一种制备该联苯衍生物的方法，包含该联苯衍生物的药物组合物以及其用途。根据本发明的公式1的联苯衍生物促进胃肠道中GLP-1的形成，并由于巨噬细胞、脂肪细胞等中的抗炎作用改善肝脏或肌肉中的胰岛素抵抗，因此可有效用于预防或治疗糖尿病、糖尿病并发症、肥胖、非酒精性脂肪肝、脂肪性肝炎、骨质疏松症或炎症。
• 3-Arylisothiazoles and their use as herbicides
  申请人：——

  公开号：US20040023807A1

  公开（公告）日：2004-02-05

  3-Arylisothiazoles of the formula I 1 in which the variables X, Q, R 1 , R 2 , R 3 , R 4 , R 5 are as defined in claim 1, and salts thereof, and their use for controlling harmful plants, are described.

  描述了具有以下公式I1的3-芳基异噻唑，其中变量X、Q、R1、R2、R3、R4、R5如权利要求1中定义的，并且其盐及其用于控制有害植物的用途。
• Processes for the preparation of 2,3-dihydrothiepine derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06566535B1

  公开（公告）日：2003-05-20

  A process for preparing a compound represented by the following formula: wherein each symbol is as defined below, or a salt thereof, characterized by subjecting a compound represented by the following formula: wherein R1 is an electron-attracting group; R2, R3, R4, R5, R6 and R7 are each a hydrogen atom, a halogen atom, an optionally substituted amino group, an optionally substituted hydroxyl group, an optionally substituted thiol group, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group, provided that R6 and R7 may be united to form a ring; and R8 is a hydrogen atom or an optionally substituted hydrocarbon group, or a salt thereof, to a ring-closing reaction.

  一种制备下述化合物或其盐的方法，所述化合物由以下公式表示：其中每个符号定义如下，其特征在于将以下公式表示的化合物：其中R1是一个电子吸引基团；R2、R3、R4、R5、R6和R7分别是氢原子、卤原子、可选择取代的氨基团、可选择取代的羟基团、可选择取代的硫基团、可选择取代的碳氢基团或可选择取代的杂环基团，但R6和R7可以结合形成一个环；以及R8是氢原子或可选择取代的碳氢基团，或其盐，进行环闭合反应。
• 2-Aryl-5-trifluoromethylpyridines
  申请人：——

  公开号：US20040043903A1

  公开（公告）日：2004-03-04

  The present invention relates to 2-aryl-5-trifluoromethylpyridines of the formula I 1 in which the variables m, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and X have the meanings given in claim 1, and their agriculturally tolerated salts. Moreover, the invention relates to the use of compounds I and their salts as herbicides and/or for the desiccation and/or defoliation of plants, to herbicidal compositions and compositions for the desiccation and/or defoliation of plants comprising the compounds I and/or their salts as active substances.

  本发明涉及具有以下通式I中给定的变量m、R1、R2、R3、R4、R5、R6和X含义的2-芳基-5-三氟甲基吡啶，以及它们在农业中可容忍的盐。此外，本发明涉及化合物I及其盐作为除草剂和/或用于植物干燥和/或落叶的用途，以及包含化合物I和/或其盐作为活性物质的除草剂组合物和用于植物干燥和/或落叶的组合物。
• Efficient synthesis of CCR5 antagonist, 2,3-dihydro-1-benzothiepine derivatives by improved intramolecular Claisen type reaction using dialkylcarbonate
  作者：Tomomi Ikemoto、Tatsuya Ito、Atsuko Nishiguchi、Kiminori Tomimatsu

  DOI：10.1016/j.tet.2004.09.039

  日期：2004.11

  The efficient synthesis of 2,3-dihydro-1-benzothiepine derivatives 4 has been developed. The intramolecular Claisen type reaction of the new products, 4-(o-formylphenylthio)butyrate 9, with alcoholate in dialkylcarbonate as a solvent afforded 4 in good yields. According to this new procedure, we have accomplished the practical preparation of CCR5 antagonist 1 as a candidate for oral HIV-1 therapy.

  已经开发了2，3-二氢-1-苯并噻庚因衍生物4的有效合成。新产物4-（邻甲酰基苯硫基）丁酸酯9与醇盐在碳酸二烷基酯中的分子内克莱森型反应以良好的收率得到4。根据这一新程序，我们已经完成了CCR5拮抗剂1的实际制备，可作为口服HIV-1治疗的候选药物。