N-TFAc-L-TyrOEt | 40908-40-5

• 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
• 英文名称: N-TFAc-L-TyrOEt
• 英文别名: N-trifluoroacetyl-L-tyrosine ethyl ester；ethyl N-(trifluoroacetyl)-L-tyrosinate；ethyl ester of N-trifluoroacetyl-L-tyrosine；N-Trifluoracetyl-L-tyrosin-aethylester；ethyl N-trifluoroacetyl-l-tyrosinate；ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
• CAS: 40908-40-5
• 化学式: C₁₃H₁₄F₃NO₄
• 分子量: 305.254
• InChiKey: HHKUCFLBVWGKCJ-JTQLQIEISA-N

物化性质

• 熔点：
  174-176 °C
• 沸点：
  418.1±45.0 °C(Predicted)
• 密度：
  1.330±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-TFAc-L-TyrOEt 在 sodium hydroxide 、 水 、 三氯化磷 作用下， 生成 O,O'-bis-(L-tyrosinyl)phosphite
  参考文献：
  名称：

  Natchev, Ivan A., Phosphorus and Sulfur and the Related Elements, 1988, vol. 37, p. 149 - 158

  摘要：

  DOI：
• 作为产物：
  描述：

  L-酪氨酸乙酯 、 三氟乙酸酐 在 氯仿 、 乙酸乙酯 作用下， 生成 N-TFAc-L-TyrOEt
  参考文献：
  名称：

  Synthesis of Some O-Glucuronides and O-Glucosides of Phenolic Amino Acids¹

  摘要：

  DOI：

  10.1021/ja01110a051

文献信息

• A novel approach to the synthesis of amino acids based on cobalt bis(dicarbollide)
  作者：I. A. Lobanova、M. Ya. Berzina、I. B. Sivaev、P. V. Petrovskii、V. I. Bregadze

  DOI：10.1007/s11172-010-0392-9

  日期：2010.12

  A novel approach to the synthesis of boron-containing amino acids based on ring opening of cyclic oxonium derivatives of polyhedral boron hydrides under the action of the terminal functional groups of natural amino acids was proposed. This approach was successfully implemented for the synthesis of cobalt bis(dicarbollide) — tyrosine conjugate.

  提出了一种基于多面体硼氢化合物的环状氧镎衍生物在天然氨基酸末端官能团作用下开环合成含硼氨基酸的新方法。该方法成功应用于合成钴双(二碳硼烷)—酪氨酸偶联物。
• Synthesis of boron-containing tyrosine derivatives based on the closo-decaborate and closo-dodecaborate anions
  作者：A. V. Prikaznov、Yu. N. Las’kova、A. A. Semioshkin、I. B. Sivaev、A. V. Kisin、V. I. Bregadze

  DOI：10.1007/s11172-011-0392-4

  日期：2011.12

  A series of new boron-containing tyrosine derivatives [B n H n−1O(CH2)4O-4-C6H4CH2CH-(NH3)COOH]− and [B n H n−1O(CH2CH2)2O-4-C6H4CH2CH(NH3)COOH]− (n = 10, 12) were prepared by ring opening of the cyclic oxonium derivatives of the decahydro-closo-decaborate and dodecahydro-closo-dodecaborate anions, respectively, with ethyl N-trifluoroacetyl-L-tyrosinate.

  B n H n-1O(CH2)4O-4-C6H4 CH-(NH3)COOH]-和[B n H n-1O( )2O-4-C6H4 CH(NH3)COOH]-（n = 10、12）分别是通过 N-三氟乙酰基-L-酪氨酸乙酯使十氢-氯索-癸硼酸阴离子和十二氢-氯索-十二硼酸阴离子的环状羰基衍生物开环而制备的。
• Chemoenzymatic synthesis of l-tyrosine derivative for a transketolase assay
  作者：Franck Charmantray、Virgil Hélaine、Angelika Làsikovà、Bertrand Legeret、Laurence Hecquet

  DOI：10.1016/j.tetlet.2008.03.099

  日期：2008.5

  We have prepared an L-tyrosine derivative bearing a D-threo ketose moiety by a convenient chemoenzymatic route. This compound is of potential interest for developing stereospecific assays for enzymes catalyzing C-C bond cleavage such as transketolase. We showed in vitro by analytical studies (LC/MS and P-31 NMR) that this compound can release L-tyrosine in the presence of wild type TK extract and bovine serum albumin. This assay is the first step towards a mutant TK selection test that could be developed for yeast cells auxotrophic for L-tyrosine. (c) 2008 Elsevier Ltd. All rights reserved.
• Enzymic synthesis of short peptides in heterogeneous mixtures of substrates
  作者：Iqbal Gill、Evgeny N. Vulfson

  DOI：10.1021/ja00061a051

  日期：1993.4
• Gill, Iqbal; Vulfson, Evgeny N., Journal of the Chemical Society. Perkin transactions I, 1992, # 6, p. 667 - 668
  作者：Gill, Iqbal、Vulfson, Evgeny N.

  DOI：——

  日期：——