(+/-)-1-(4-trifluoromethylphenyl)ethyl acetate | 32313-85-2

• 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: (+/-)-1-(4-trifluoromethylphenyl)ethyl acetate
• 英文别名: 1-[4-(trifluoromethyl)phenyl]ethanol；1-(4'-Trifluormethylphenyl)-ethylacetat；Acetic acid 1-[4-(trifluoromethyl)phenyl]ethyl ester；1-[4-(trifluoromethyl)phenyl]ethyl acetate
• CAS: 32313-85-2
• 化学式: C₁₁H₁₁F₃O₂
• 分子量: 232.202
• InChiKey: MMENAOHVTVDEPK-UHFFFAOYSA-N

物化性质

• 沸点：
  230.2±35.0 °C(Predicted)
• 密度：
  1.203±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对三氟甲基苯甲醛 在 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 乙醚 、 乙酸乙酯 为溶剂， 反应 24.0h， 生成 (+/-)-1-(4-trifluoromethylphenyl)ethyl acetate
  参考文献：
  名称：

  Asymmetric transesterification of secondary alcohols catalyzed by feruloyl esterase from Humicola insolens

  摘要：

  A new asymmetric transesterification of secondary alcohols catalyzed by feruloyl esterase from Humicola insolens has been found. Although alcohols are not the natural substrates for this enzyme, a high R enantioselectivity was observed. Stereochemical studies showed that variations in substrate structure lead to strong variations in enantioselectivity. The highest enantioselectivities are obtained when the beta-carbon of the secondary alcohol is tertiary or quaternary. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2005.05.002

文献信息

• Enzyme immobilization on a novel NH2-MOF-5@PEI composite support for efficient kinetic resolution of MOPE enantiomers
  作者：Yingnan Ma、Chenrui Sun、Qian Zhang、Yining Ren、Quan Zeng、Fan Cao、Bizhu Sun、Panliang Zhang、Kewen Tang

  DOI：10.1016/j.mcat.2023.113750

  日期：2024.1

  The immobilization of enzyme on solid supports as the heterogeneous catalyst is an efficient strategy to enhance the catalytic performance and reusability. MOFs supports show huge potential for enzyme immobilization, however, suffer from poor stability thus reducing the effective loading of enzyme and resulting in low catalytic performance. In this work, NH2-MOF-5 was synthesized and linked with the

  将酶固定在固体载体上作为多相催化剂是提高催化性能和可重复使用性的有效策略。MOFs载体在酶固定化方面显示出巨大的潜力，但其稳定性较差，从而降低了酶的有效负载量，导致催化性能较低。本工作合成了NH 2 -MOF-5，与交联的PEI通过化学键连接形成新型复合载体，然后通过物理吸附将脂肪酶PS固定在复合载体上，合成PS@NH 2 - MOF-5@PEI 己烷溶液。得益于NH 2 -MOF-5@PEI稳定的纳米花结构和对脂肪酶PS的强吸附作用，合成的PS@NH 2 -MOF-5@PEI表现出巨大的比表面积（固定化后仅减少了5.90%）增强的α-螺旋和β-转角（分别增加29.80％和52.88％），从而表现出优异的催化活性，比游离脂肪酶PS高约2倍，并且在8次循环后具有出色的可回收性。我们相信，将酶固定在新型NH 2 -MOF-5@PEI载体上的策略将展现出生物催化剂进一步应用的巨大潜力。
• Ethyl acetate as an acetyl source and solvent for acetylation of alcohols by KOH
  作者：Xiaodan Wang、Huilin Sun、Yao Cheng、Wenfei Yang、Xinmei Wang、Liting Xiong、Yiying Li、Jinhui Wang、Chunli Gan、Chunguang Lin、Huanjun Xu

  DOI：10.1039/d3ra08717d

  日期：——

  efficient, convenient and gram-scalable protocol for the acetylation of alcohols with EtOAc as acetyl source and solvent. Various types of alcohols were successfully transformed into according acetylated products. Good to excellent yields were offered by primary alcohols and low to moderate yields were offered by secondary alcohols.

  KOH 介导的温和、高效、方便且克级规模的醇乙酰化方案，以 EtOAc 作为乙酰基源和溶剂。各类醇已成功转化为相应的乙酰化产品。伯醇提供良好到优异的产率，仲醇提供低到中等的产率。
• Transesterification/Acylation of Secondary Alcohols Mediated by<i> N</i>-Heterocyclic Carbene Catalysts
  作者：Rohit Singh、Rebecca M. Kissling、Marie-Anne Letellier、Steven P. Nolan

  DOI：10.1021/jo035431p

  日期：2004.1.1

  N-Heterocyclic carbenes (NHC) are efficient catalysts for transesterification/acylation reactions involving secondary alcohols. The catalytic transformations are carried out employing low catalyst loadings in convenient reaction times at room temperature.