ethyl 3-(benzoylthio)propanoate | 10220-65-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 3-(benzoylthio)propanoate
• 英文别名: Propanoic acid, 3-(benzoylthio)-, ethyl ester；ethyl 3-benzoylsulfanylpropanoate
• CAS: 10220-65-2
• 化学式: C₁₂H₁₄O₃S
• 分子量: 238.307
• InChiKey: XNAODHCURGAWCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯甲酸 、 丙烯酸乙酯 在 1-(2-(methylamino)ethyl)-3-phenylthiourea 、 N,N'-二苯基硫脲 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以55%的产率得到ethyl 3-(benzoylthio)propanoate
  参考文献：
  名称：

  不含活化剂和硫醇的硫酯化反应：羧酸，硫脲和迈克尔受体的三组分反应

  摘要：

  描述了直接从羧酸，硫脲和迈克尔受体进行胺催化的一锅法合成硫酯的方法。通过使用1- [2-（甲基氨基）乙基] -3-苯基硫脲（4）作为催化剂，可进一步改善此过程。具有官能团的芳族和脂肪族羧酸与该过程兼容，并且α，β-不饱和酯和酮均可为该反应的迈克尔受体。通过1 H NMR监测该反应的进行，并提出了反应机理。

  DOI：

  10.1002/adsc.201500426

文献信息

• Method for Synthesizing of Thioesters by Using Compound as Catalyst
  申请人：National Central University

  公开号：US20160340303A1

  公开（公告）日：2016-11-24

  A method for synthesizing of thioesters by using a compound as a catalyst is disclosed. The compound is represented by formula I below: In formula I, R 5 represents H, a substituted or unsubstituted alkyl, a substituted or unsubstituted aryl, or a substituted or unsubstituted heteroaryl; X and Y each independently represents one of H, C 1-10 alkyl, C 5-10 aryl, C 1-10 alkyl alcohol, thiohydroxy, carbonyl, sulfonyl, sulfamoyl, carbamoyl, C 1-10 alkoxycarbonyl, C 1-10 alkoxycarbamoyl, C 1-10 alkylamino, C 1-10 alkylsulfonyl, C 1-10 haloalkylsulfonyl, ureido, amido, and C 1-10 alkoxylcarbamoyl; and n is 0, 1, 2, 3, 4 or 5.

  本发明揭示了一种使用化合物作为催化剂合成硫酯的方法。该化合物由以下式子I表示： 在式I中，R5代表H、取代或未取代的烷基、取代或未取代的芳基或取代或未取代的杂环芳基；X和Y各自独立地表示H、C1-10烷基、C5-10芳基、C1-10烷基醇、硫羟基、羰基、磺酰基、磺酰胺基、氨基甲酰基、C1-10烷氧羰基、C1-10烷氧羰胺基、C1-10烷基氨基、C1-10烷基磺酰基、C1-10卤代烷基磺酰基、尿素基、酰胺基和C1-10烷氧基羰胺基；n为0、1、2、3、4或5。
• Catalyst components for the polymerization of olefins
  申请人：BASELL POLIOLEFINE ITALIA S.R.L.

  公开号：US10011668B2

  公开（公告）日：2018-07-03

  The present disclosure relates to a catalyst component for the polymerization of olefins comprising Mg. Ti and an electron donor such as mercaptoester derivatives of the general formula (I). in which Z is selected from C, Si, O, N, S or P, with the proviso that the atoms O, S, P and N are not directly linked to either the carboxylic group or the sulfur atom of formula (I), the R2 groups, equal to or different from each other, are selected from hydrogen or a C1-C20 hydrocarbon radicals, optionally containing a heteroatom selected from halogen, P, S, N, O and Si, which can be fused together to form one or more cycles, m is a number satisfying the valences of Z and n is an integer ranging from 1 to 10, X is O or S, Y is —OR3, —NR4R5) or R6 groups in which R1 and R3 are selected from C1-C15 hydrocarbon groups, optionally containing a heteroatom selected from halogen, P, S, N, O, and Si, R4-R5 groups, independently, are hydrogen or R1 groups, and R6 groups have the same composition as R1 groups.

  本公开涉及一种用于烯烃聚合的催化剂组分，由 Mg.Ti和电子供体，如通式(I)的巯基酯衍生物。 其中 Z 选自 C、Si、O、N、S 或 P，但 O、S、P 和 N 原子不与式 (I) 的羧基或硫原子直接相连，R2 基团彼此相等或不同，选自氢或 C1-C20 烃基，任选含有选自卤素、P、S、N、O 和 Si 的杂原子，可融合在一起形成一个或多个循环、m是满足Z的价数，n是1至10的整数，X是O或S，Y是-OR3、-NR4R5）或R6基团，其中R1和R3选自C1-C15烃基，任选含有选自卤素、P、S、N、O和Si的杂原子，R4-R5基团独立地为氢或R1基团，R6基团的组成与R1基团相同。
• CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS
  申请人：Basell Poliolefine Italia S.r.l.

  公开号：EP3277736B1

  公开（公告）日：2019-03-27
• US9567297B2
  申请人：——

  公开号：US9567297B2

  公开（公告）日：2017-02-14
• [EN] CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS<br/>[FR] CONSTITUANTS DE CATALYSEUR POUR LA POLYMÉRISATION D'OLÉFINES
  申请人：BASELL POLIOLEFINE ITALIA SRL

  公开号：WO2016156473A1

  公开（公告）日：2016-10-06

  Catalyst component for the polymerization of olefins comprising Mg. Ti and an electron donor belonging to mercaptoester derivatives of specific formula (I) in which Z is selected from C, Si, O, N, S or P with the proviso that the atoms O, S, P and N are not directly linked to either the carboxylic group or the sulphur atom of formula (I), the R2 groups, equal to or different from each other, are hydrogen or a C1-C20 hydrocarbon radicals, optionally containing a heteroatom selected from halogen, P, S, N,O and Si, which can be fused together to form one or more cycles, m is a number satisfying the valences of Z and n is an integer ranging from 1 to 10, X is O or S, Y is -OR3, -NR4R5) or R6 groups in which R1 and R3 are selected from C1-C15 hydrocarbon groups, optionally containing a heteroatom selected from halogen, P, S, N,O, and Si, R4-R5 groups, independently, are hydrogen or R1 groups and R6 groups have the same meaning as R1 groups.