2-(甲基硫代)丙酸甲酯 | 61366-76-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-(甲基硫代)丙酸甲酯
• 英文名称: methyl β-(methylthio)propionate
• 英文别名: methyl 2-(methylthio)propionate；methyl 2-methylthioacrylate；2-methylsulfanyl-propionic acid methyl ester；2-Methylmercapto-propionsaeure-methylester；methyl 2-methylsulfanylpropanoate
• CAS: 61366-76-5
• 化学式: C₅H₁₀O₂S
• mdl: MFCD02683079
• 分子量: 134.199
• InChiKey: QMPSBIWJVUCDKV-UHFFFAOYSA-N

物化性质

• 沸点：
  157.6±23.0 °C(Predicted)
• 密度：
  1.041±0.06 g/cm3(Predicted)
• LogP：
  1.170 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-(甲基硫代)丙酸甲酯 在 磺酰氯 作用下， 生成 2-Methylmercapto-acrylsaeure-methylester
  参考文献：
  名称：

  [EN] (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3- (METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS
  [FR] COMPOSITIONS DE (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-MÉTHYL-1H-1,2,4-TRIAZOL-3-YL)PHÉNYL)-3,6-DIHYDROPYRIDIN-1 (2H)-YL)-2-OXOÉTHYL)-3-(MÉTHYLTHIO)PYRROLIDINE -3-CARBOXAMIDE POUR PRÉPARATIONS PHARMACEUTIQUES

  摘要：

  一种包含(S)-N-(3-(6-异丙氧基吡啶-3-基)-1H-吲哚-5-基)-1-(2(4-(4-(1-甲基-1H-1,2,4-三唑-3-基)苯基)-3,6-二氢吡啶-1(2H)-基)-2-氧乙基)-3-(甲硫基)吡咯烷-3-羧酰胺和乙酰丁香酸羟丙甲基纤维素用于制备药物，特别是胶囊制剂。

  公开号：

  WO2016100147A1
• 作为产物：
  描述：

  重氮甲烷 、 2-(甲基硫代)丙酸 以 乙醚 为溶剂， 以100%的产率得到2-(甲基硫代)丙酸甲酯
  参考文献：
  名称：

  Magnesium bromide-promoted addition of heterosubstituted methylketene silyl acetals to alkoxy aldehydes. Diastereoselective synthesis of 3,4-syn-2-methylene- and 2-(alkoxymethyl)-3-hydroxy-4-alkoxy esters

  摘要：

  DOI：

  10.1021/jo00381a029

文献信息

• Investigation of the reaction of α-thioamides, α-esters and α-nitriles with N-halosuccinimides
  作者：Marie Kissane、Maureen Murphy、Denis Lynch、Alan Ford、Anita R. Maguire

  DOI：10.1016/j.tet.2008.05.026

  日期：2008.8

  Investigation of the reaction of α-thioamides, α-esters and α-nitriles with NBS and NCS is described. The scope of this stereoselective oxidative transformation to the β-haloacrylamides, β-acrylates and β-acrylonitriles has been determined. A mechanistic rationale to explain the observed differences in reactivity between the amide, ester and nitrile series is proposed.

  描述了α-硫代酰胺，α-酯和α-腈与NBS和NCS的反应的研究。已经确定了这种立体选择性氧化转化为β-卤代丙烯酰胺，β-丙烯酸酯和β-丙烯腈的范围。提出了一种机械原理来解释所观察到的酰胺，酯和腈系列之间的反应性差异。
• [EN] COMPOUNDS THAT ARE ERK INHIBITORS<br/>[FR] COMPOSÉS INHIBITEURS DE LA VOIE ERK
  申请人：SCHERING CORP

  公开号：WO2009105500A1

  公开（公告）日：2009-08-27

  Disclosed are the ERK inhibitors of formula 1.0: and the pharmaceutically acceptable salts, and solvates thereof. Q is a tetrahydopyridinyl ring. All other substitutents are as defined herein. Also disclosed are methods of treating cancer using the compounds of formula 1.0.

  公开了式1.0的ERK抑制剂及其药用可接受的盐和溶剂。Q为四氢吡啶基。所有其他取代基的定义如本文所述。还公开了使用式1.0化合物治疗癌症的方法。
• Metal hydride mediated reduction of 3-(alkylthio)oxindoles containing other potentially reducible groups
  作者：Terrence J. Connolly、Tony Durst

  DOI：10.1139/v97-063

  日期：1997.5.1

  The reduction of several 3-(methylthio)oxindoles bearing ester groups on the benzene ring has been studied. The reaction is very dependent on the substitution of the oxindole, and the position of the ester group. Deprotonation of the C3 center by the metal hydride is the major initial pathway. This deprotonation plays a role in the reduction of the pendant ester group. Ester groups ortho, and presumably para, to C3 are very difficult to reduce, reaction only occurring with excess LiAlH₄ at elevated temperatures. Once reduction starts, it is very difficult to stop, with reduction of the ester to a methyl group being observed. When deprotonation at this center is blocked, ester reduction becomes straightforward and can be accomplished at room temperature with LiEt₃BH. Keywords: oxindole, reduction, anion.

  已完成。
• [EN] (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3- (METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS<br/>[FR] COMPOSITIONS DE (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-MÉTHYL-1H-1,2,4-TRIAZOL-3-YL)PHÉNYL)-3,6-DIHYDROPYRIDIN-1 (2H)-YL)-2-OXOÉTHYL)-3-(MÉTHYLTHIO)PYRROLIDINE -3-CARBOXAMIDE POUR PRÉPARATIONS PHARMACEUTIQUES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016100147A1

  公开（公告）日：2016-06-23

  A composition comprising (S)-N-(3-(6-isopropoxypyridin-3-yl)-1H-indazol-5-yl)- 1-(2(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)-2-oxoethyl)-3- (methylthio)pyrrolidine-3-carboxamide and hypromellose acetate succinate for pharmaceutical preparations, especially capsule preparations.

  一种包含(S)-N-(3-(6-异丙氧基吡啶-3-基)-1H-吲哚-5-基)-1-(2(4-(4-(1-甲基-1H-1,2,4-三唑-3-基)苯基)-3,6-二氢吡啶-1(2H)-基)-2-氧乙基)-3-(甲硫基)吡咯烷-3-羧酰胺和乙酰丁香酸羟丙甲基纤维素用于制备药物，特别是胶囊制剂。
• Lewis acid promoted aldol additions of α-thiosilylketeneacetals to α-alkoxy aldehydes: diastereoselective synthesis of -α-methylene-β-hydroxy-∂-alkoxy esters.
  作者：Anna Bernardi、Silvia Cardani、Cesare Gennari、Giovanni Poli、Carlo Scolastico

  DOI：10.1016/s0040-4039(00)99039-7

  日期：——

  MgBr2 mediated addition of Methyl α-methylthio propionate silylketene acetal to α and α,β-alkoxy aldehydes is highly 3,4 syn-selective (18:1). syn-α- methylene-β- hydroxy-∂-alkoxy esters (6) and (8) are synthesized.

  由MgBr 2介导的α-甲硫基丙酸甲酯甲硅烷基乙烯酮缩醛与α和α，β-烷氧基醛的加成反应具有很高的3,4同选择性（18：1）。合成了α-亚甲基-β-羟基-α-烷氧基酯（6）和（8）。