(R)-1-(3-methoxyphenyl)allyl acetate | 1362084-88-5

• 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: (R)-1-(3-methoxyphenyl)allyl acetate
• CAS: 1362084-88-5
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: NMQZQMHXPFNNBL-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  乙酸乙烯酯 、 (1R,S)-1-(3-甲氧基苯基)-2-丙烯-1-醇 在 solid phase supported Burkholderia cepacia LTEB₁₁ lipase 作用下， 以 正己烷 为溶剂， 生成 、 (R)-1-(3-methoxyphenyl)allyl acetate
  参考文献：
  名称：

  A new mathematical method for determining the enantiomeric ratio in lipase-catalyzed reactions

  摘要：

  We present a new mathematical method for determining the enantiomeric ratio (E) during lipase-catalyzed kinetic resolutions. The method involves the fitting of a model to profiles of adimensionalizecl concentrations of the two enantiomers of the chiral substrate, plotted against degree of conversion. The model equations are presented for a reversible reaction involving bi-bi ping-pong kinetics in which the chiral substrate enters second and the chiral product leaves second. However, it is also shown that the method is easy to modify for analysis of resolutions involving other chiral substrate-product pairs and of resolutions in which the behavior of the system can be approximated by irreversible uni-uni kinetics. We show that our method retains several advantageous features of existing methods that help to ensure accuracy. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2010.01.019

文献信息

• Highly Efficient Kinetic Resolution of Allylic Alcohols with Terminal Double Bond
  作者：Francisco A. Marques、Marcos A. Oliveira、Gustavo Frensch、Beatriz Helena L. N. Sales Maia、Andersson Barison、Cesar A. Lenz、Palimecio G. Guerrero

  DOI：10.2174/157017811799304151

  日期：2011.12.1

  In this study, the lipase-catalyzed kinetic resolution (Novozyme 435) was employed to prepare chiral allylic alcohols and acetates with terminal double bonds in enantiomeric excesses ranging from 94 to 99 %.

  在本研究中，采用脂肪酶催化的动力学解析（Novozyme 435）制备了端双键的手性烯丙醇和醋酸酯，恩基异纯度范围为94%至99%。