4-溴苯乙酮甲磺酸三氟甲酯 | 93128-04-2

• 物质功能分类: 分析化学 - 分析试剂 - 常用分析试剂
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-溴苯乙酮甲磺酸三氟甲酯
• 中文别名: 4-溴苯甲酰甲基三氟甲磺酸酯；4-溴苯甲酰甲基三氟甲烷磺酸酯
• 英文名称: 4'-bromophenacyl triflate
• 英文别名: 4-Bromophenacyl triflate；[2-(4-bromophenyl)-2-oxoethyl] trifluoromethanesulfonate
• CAS: 93128-04-2
• 化学式: C₉H₆BrF₃O₄S
• 分子量: 347.109
• InChiKey: YMYKWFCLILHEJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• 危险品运输编号：
  UN 3261 8/PG 2

反应信息

• 作为反应物：
  描述：

  4-溴苯乙酮甲磺酸三氟甲酯 、 聚甘氨酸 在 水 、 magnesium oxide 作用下， 以 乙腈 为溶剂， 反应 0.08h， 生成 Glycin-(4-brom-phenacylester)
  参考文献：
  名称：

  Aracyl Triflates as Derivatizing Agents for Biological Betaines

  摘要：

  我们制备了几种一般结构为 ArCOCH2OTf 的三氟甲磺酸盐，并评估了它们作为衍生剂用于高效液相色谱分析甜菜碱的适用性。其中四种（Ar = 2′-萘基、2′-芴基、6′-甲氧基萘基和 2′-菲基）显示出与紫外和/或荧光检测器配合使用的前景，而最后一种可能是最有前景的。

  DOI：

  10.1071/ch03133

文献信息

• OPTIMIZED ANALYTE DERIVATIZATION FOR SYNERGISTIC APPLICATION WITH CRYSTAL SPONGE METHOD
  申请人：Merck Patent GmbH

  公开号：EP3786623A1

  公开（公告）日：2021-03-03

  The invention provides a sample preparation method (100) comprising: providing a sample (10) comprising an organic molecule (20), wherein the organic molecule (20) comprises a target group (21), wherein the target group (21) is a nucleophilic group and/or an acidic group; a derivatization stage (110) comprising: derivatizing the target group (21) of the organic molecule (20) with a moiety (31) comprising one or more of (i) a hydrocarbon comprising group and (ii) a 3rd period atom comprising group, wherein the 3rd period atom is selected from the group consisting of Si, P, and S, thereby providing a derivatized organic molecule (30); a separation stage (120) comprising: subjecting the sample (10) to a separation process to provide a fraction (35) comprising the derivatized organic molecule (30); and a preparation stage (130) comprising: introducing the derivatized organic molecule (30) into a porous single crystal (40), to provide a derivatized organic molecule doped porous single crystal (50).

  本发明提供了一种样品制备方法（100），包括：提供包含有机分子（20）的样品（10），其中有机分子（20）包含目标基团（21），其中目标基团（21）是亲核基团和/或酸性基团；衍生化阶段（110）包括：将有机分子（20）的目标基团（21）与包含以下一个或多个的分子（31）衍生化：(i) 包含碳氢化合物的基团；(ii) 包含第 3 周期原子的基团，其中第 3 周期原子选自由 Si、P 和 S 组成的组，从而提供衍生化的有机分子（30）； 分离阶段（120）包括将样品（10）置于分离过程中，以提供包含衍生化有机分子（30）的馏分（35）；以及制备阶段（130），包括：将衍生化有机分子（30）引入多孔单晶体（40）中，以提供掺杂衍生化有机分子的多孔单晶体（50）。
• ANALYSIS OF TMLHE AND CARNITINE BIOSYNTHESIS FOR AUTISM DIAGNOSIS
  申请人：Beaudet Arthur L.

  公开号：US20130005806A1

  公开（公告）日：2013-01-03

  Embodiments of the invention include determining whether an individual has autism spectrum disorder or is at risk for developing autism spectrum disorder or at risk for regression of or into autism spectrum disorder. Specific embodiments include the determination of indicative levels of carnitine or other metabolites in carnitine biosynthesis and may include assaying for mutations in TMLHE, including in exon 2, for example. In some cases one can assay for mutations in TMLHE in the absence of biochemical analysis of carnitine biosynthesis metabolites. An individual with deficiency in TMLHE and/or carnitine levels may be administered carnitine, acetylcarnitine, butyrobetaine, or a combination thereof, for example.
• [EN] OPTIMIZED ANALYTE DERIVATIZATION FOR SYNERGISTIC APPLICATION WITH CRYSTAL SPONGE METHOD<br/>[FR] DÉRIVATISATION D'ANALYTE OPTIMISÉE POUR L'APPLICATION SYNERGIQUE AVEC UN PROCÉDÉ D'ÉPONGE DE CRISTAL
  申请人：MERCK PATENT GMBH

  公开号：WO2021037362A1

  公开（公告）日：2021-03-04

  The invention provides a sample preparation method (100) comprising: providing a sample (10) comprising an organic molecule (20), wherein the organic molecule (20) comprises a target group (21), wherein the target group (21) is a nucleophilic group and/or an acidic group; a derivatization stage (110) comprising: derivatizing the target group (21) of the organic molecule (20) with a moiety (31) comprising one or more of (i) a hydrocarbon comprising group and (ii) a 3rd period atom comprising group, wherein the 3rd period atom is selected from the group consisting of Si, P, and S, thereby providing a derivatized organic molecule (30); a separation stage (120) comprising: subjecting the sample (10) to a separation process to provide a fraction (35) comprising the derivatized organic molecule (30); and a preparation stage (130) comprising: introducing the derivatized organic molecule (30) into a porous single crystal (40), to provide a derivatized organic molecule doped porous single crystal (50).
• [EN] OPTIMIZED ANALYTE DERIVATIZATION FOR SYNERGISTIC APPLICATION WITH CRYSTAL SPONGE METHOD<br/>[FR] DÉRIVATION OPTIMISÉE D'ANALYTE POUR APPLICATION SYNERGIQUE AVEC UN PROCÉDÉ D'ÉPONGE CRISTALLINE
  申请人：MERCK PATENT GMBH

  公开号：WO2021037937A1

  公开（公告）日：2021-03-04

  The invention provides a sample preparation method (100) comprising: providing a sample (10) comprising an organic molecule (20), wherein the organic molecule (20) comprises a target group (21), wherein the target group (21) is a nucleophilic group and/or an acidic group; a derivatization stage (110) comprising: derivatizing the target group (21) of the organic molecule (20) with a moiety (31) comprising one or more of (i) a hydrocarbon comprising group and (ii) a 3rd period atom comprising group, wherein the 3rd period atom is selected from the group consisting of Si, P, and S, thereby providing a derivatized organic molecule (30); a separation stage (120) comprising: subjecting the sample (10) to a separation process to provide a fraction (35) comprising the derivatized organic molecule (30); and a preparation stage (130) comprising: introducing the derivatized organic molecule (30) into a porous single crystal (40), to provide a derivatized organic molecule doped porous single crystal (50).