(S)-(-)-MTPA ester of (S)-(-)-1-phenylethanol | 39532-69-9

• 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: (S)-(-)-MTPA ester of (S)-(-)-1-phenylethanol
• 英文别名: α-Methoxy-α-trifluormethylphenylessigsaeure-α-methylbenzylester；[(1R)-1-phenylethyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
• CAS: 39532-69-9
• 化学式: C₁₈H₁₇F₃O₃
• 分子量: 338.326
• InChiKey: ODGTWGKZQYVJMH-DYVFJYSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  甲氧基-三氟甲基苯 、 苏合香醇 生成 (S)-(-)-MTPA ester of (S)-(-)-1-phenylethanol
  参考文献：
  名称：

  DOOLITTLE, R. E.;HEATH, R. R., J. ORG. CHEM., 1984, 49, N 26, 5041-5050

  摘要：

  DOI：

文献信息

• Assignment of absolute stereochemistry to an insect pheromone by chiral amplification
  作者：Xiongwei Shi、Walter S. Leal、Jerrold Meinwald

  DOI：10.1016/0968-0896(96)00006-5

  日期：1996.3

  Chiral amplification, a new strategy for determining the absolute configuration of difficultly available natural secondary alcohols or analogous amines; is described. Using this technique. the R configuration can be assigned to both components of the male sex pheromone emitted by the longhorn beetle, Anaglyptus subfasciatus. The application of this approach to fourteen alcohols and four amines illustrates its scope and limitations. Copyright (C) 1996 Elsevier Science Ltd
• Streinz, Ludvik; Svatos, Ales; Vrkoc, Jan, Journal of the Chemical Society. Perkin transactions I, 1994, # 23, p. 3509 - 3512
  作者：Streinz, Ludvik、Svatos, Ales、Vrkoc, Jan、Meinwald, Jerrold

  DOI：——

  日期：——
• A Practical NMR-Based High-Throughput Assay for Screening Enantioselective Catalysts and Biocatalysts
  作者：Manfred T. Reetz、Andreas Eipper、Patrick Tielmann、Richard Mynott

  DOI：10.1002/1615-4169(200210)344:9<1008::aid-adsc1008>3.0.co;2-t

  日期：——

  Two NMR-based approaches for high-throughput screening of enantioselective catalysts and biocatalysts are described. One version makes use of pseudo-enantiomers or pseudo-meso-compounds based on C-13-labeling. A throughput of at least 1400 ee determinations per day is possible by using an appropriate flow-through cell and an autosampler. The other approach is based on traditional diastereomer formation using a chiral reagent or complexing agent. The ee values are accurate to within +/-2% and +/-5% of the true values.
• Svatos, Ales; Valterova, Irena; Saman, David, Collection of Czechoslovak Chemical Communications, 1990, vol. 55, # 2, p. 485 - 490
  作者：Svatos, Ales、Valterova, Irena、Saman, David、Vrkoc, Jan

  DOI：——

  日期：——