N-TFA-D-Alaninisopropylester | 53375-64-7

• 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
• 英文名称: N-TFA-D-Alaninisopropylester
• 英文别名: N-(2,2,2-Trifluoroacetyl)-D-alanine 1-methylethyl ester；propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
• CAS: 53375-64-7
• 化学式: C₈H₁₂F₃NO₃
• 分子量: 227.183
• InChiKey: ZWQQFANFZOAONR-RXMQYKEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丙氨酸异丙酯 生成 N-TFA-D-Alaninisopropylester
  参考文献：
  名称：

  OI, NAOBUMI;KITAHARA, HAJIMU;MATSUSHITA, YASUHIRO, J. HIGH RESOLUT. CHROMATOGR., 13,(1990) N0, C. 720-724

  摘要：

  DOI：

文献信息

• Nucleophilic Substitution Reactions of Alkyl Halides by Using New Polymer-Supported Reagents Containing Hemin
  作者：Kiyoshi Saito、Kaoru Harada

  DOI：10.1246/bcsj.62.2562

  日期：1989.8

  hemin, divinylbenzene, and 2-methyl-5-vinylpyridine was synthesized by suspension copolymerization. Substitution reactions of primary, secondary, and tertiary alkyl halides with the hemin copolymer combined with cyanide, azide, and thiocyanate ions were given satisfactory yields. This reaction mechanism was revealed to be a SNi type on the basis of stereochemical study. The hemin copolymer was not only

  通过悬浮共聚反应合成了一种由氯化血红素、二乙烯基苯和2-甲基-5-乙烯基吡啶组成的新型高分子试剂。伯、仲和叔烷基卤与氯化血红素共聚物与氰化物、叠氮化物和硫氰酸根离子的取代反应得到了令人满意的产率。根据立体化学研究，该反应机理被揭示为 SNi 型。氯化血红素共聚物不仅是具有功能性的聚合物负载试剂，而且还用于将产物与反应混合物分离。
• Stable Nitrogen Isotope Analysis of Amino Acid Enantiomers by Gas Chromatography/Combustion/Isotope Ratio Mass Spectrometry
  作者：Stephen A. Macko、Maria E. Uhle、Michael H. Engel、Vladimir Andrusevich

  DOI：10.1021/ac960956l

  日期：1997.3.1

  analysis. Following hydrolysis and derivatization, single-component isotope analysis is accomplished on nanomole quantities of each of the stereoisomers of an amino acid, utilizing the effluent stream of gas chromatographic separation. Nitrogen isotope fractionation is minimal during acylation of the amino acid, with no additional nitrogen being added stoichiometrically to the derivative. Thus, the isotopic

  提出了通过使用气相色谱/燃烧/同位素比质谱法（GC / C / IRMS）分析单个氨基酸立体异构体的稳定氮同位素组成的方法。单个氨基酸或其对映异构体的氮同位素组成可能不需要常规稳定同位素分析所需的劳动强度大且耗时的制备规模的色谱程序。在水解和衍生化之后，利用气相色谱分离的流出物流，对纳摩尔量的每种氨基酸立体异构体进行单组分同位素分析。在氨基酸酰化过程中，氮同位素的分馏极少，没有化学计量地将额外的氮添加到衍生物中。因此，衍生物中氮的同位素组成与原始化合物相同。通过常规同位素比质谱法（IRMS）和GC / C / IRMS对11个氨基酸及其三氟乙酰基（TFA）/异丙基（IP）酯衍生物进行了重复的稳定氮同位素分析，结果表明，气相色谱程序可高度重现（标准偏差通常为每千分之0.3-0.4），而氨基酸与其TFA / IP衍生物之间的同位素差异通常小于每千分之0.5。
• Chiral 3D Open-Framework Material Ni(D-cam)(H₂O)₂Used as GC Stationary Phase
  作者：Shengming Xie、Bangjin Wang、Xinhuan Zhang、Junhui Zhang、Mei Zhang、Liming Yuan

  DOI：10.1002/chir.22260

  日期：2014.1

  explored for analytical applications because of their outstanding properties such as high surface areas, flexibility and specific structure features, especially for chromatography application in recent years. In this work, a chiral MOF Ni(D‐cam)(H2O)2 with unusual integration of molecular chirality, absolute helicity, and 3‐D intrinsic chiral net was chosen as stationary phase to prepare Ni(D‐cam)(H2O)2‐coated

  由于金属有机骨架（MOF）具有出色的特性，例如高表面积，柔韧性和特殊的结构特征，因此已经在分析应用中进行了探索，尤其是在近年来的色谱应用中。在这项工作中，选择具有手性，分子绝对性和3D固有手性网络异常整合的手性MOF Ni（D-cam）（H 2 O）2作为固定相来制备Ni（D-cam） H 2 O）2带涂层的开放式管柱，用于高分辨率气相色谱（GC）分离。通过动态涂覆法制备了两种具有不同内径和长度的熔融石英空心管柱，包括A柱（内径30 m×250 µm）和B柱（内径2 m×75 µm）。使用正十二烷作为分析物在120°C下对两根色谱柱的色谱性能进行了研究。两个金属-有机骨架（MOF）柱的理论塔板数（板/米）分别为1300和2750。外消旋体，异构体和直链烷烃混合物用作分析物以评估Ni（D-cam）（H 2 O）2的分离性能涂层开放管柱。结果表明，该色谱柱能够很好地分离异构体和直链烷烃混合物，
• Stable carbon isotope analysis of amino acid enantiomers by conventional isotope ratio mass spectrometry and combined gas chromatography/isotope ratio mass spectrometry
  作者：J. A. Silfer、M. H. Engel、S. A. Macko、E. J. Jumeau

  DOI：10.1021/ac00004a014

  日期：1991.2.15

  The application of a combined gas chromatography/isotope ratio mass spectrometry (GC/IRMS) method for stable carbon isotope analysis of amino acid enantiomers is presented. This method eliminates the numerous preparative steps integral to the isolation of amino acids and amino acid enantiomers from protein hydrolyzates that precede delta-C-13 analysis by conventional isotope ratio mass spectrometry. Unlike hydrocarbons, amino acids require derivatization prior to GC/IRMS analysis. Replicate delta-C-13 analyses of trifluoroacetyl (TFA) isopropyl ester derivatives of 22 amino acids by IRMS revealed that the derivatization process is reproducible, with an average error (1 standard deviation) of 0.10% +/- 0.09%. The average analytical error for analysis of amino acid derivatives by GC/IRMS was 0.26% +/- 0.09%. In general, absolute differences between IRMS and GC/IRMS analyses were less than 0.5%. The derivatization process introduces a distinct, reproducible isotopic fractionation that is constant for each amino acid type. The observed fractionations preclude direct calculation of underivatized amino acid delta-C-13 values from their respective TFA isopropyl ester delta-C-13 compositions through mass balance relationships. Derivatization of amino acid standards of known stable carbon isotope compositions in conjunction with natural samples, however, permits computation of the original, underivatized amino acid delta-C-13 values through use of an empirical correction for the carbon introduced during the derivatization process.
• Williams, Dudley H.; Santikarn, Sitthivet; Angelis, Francesco De, Journal of the Chemical Society. Perkin transactions I, 1983, # 8, p. 1869 - 1878
  作者：Williams, Dudley H.、Santikarn, Sitthivet、Angelis, Francesco De、Smith, Richard J.、Reid, David G.、at al.

  DOI：——

  日期：——