2-(4'-ethylbiphenyl-4-yl)ethanol | 109652-68-8

• 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: 2-(4'-ethylbiphenyl-4-yl)ethanol
• 英文别名: 4-(4-ethyl-phenyl)-phenethyl alcohol；4-(4-Aethyl-phenyl)-phenaethylalkohol；2-[4-(4-Ethylphenyl)phenyl]ethanol
• CAS: 109652-68-8
• 化学式: C₁₆H₁₈O
• 分子量: 226.318
• InChiKey: XZPXVXCQOYFUAV-UHFFFAOYSA-N

物化性质

• 沸点：
  370.1±31.0 °C(Predicted)
• 密度：
  1.038±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4,4'-bis-(2-chloro-1-hydroxy-ethyl)-biphenyl 在 氢氧化钾 、 乙醇 、 镍 作用下， 生成 2-(4'-ethylbiphenyl-4-yl)ethanol
  参考文献：
  名称：

  据了解芳族二环氧化物和三环氧化物。第三次沟通

  摘要：

  1.以另一种方式再次制备较早显示的1,3,5-三-（环氧乙基）苯，除了已描述的具有1的1,3,5-三（环氧乙基）苯的化合物外，还获得了更高的熔点（熔点为81.5°）。熔点64°。结果表明，这是两个可能的消旋体。

  DOI：

  10.1002/hlca.19590420718

文献信息

• Bioconversion of aromatic compounds by Escherichia coli that expresses cytochrome P450 CYP153A13a gene isolated from an alkane-assimilating marine bacterium Alcanivorax borkumensis
  作者：Toshihiko Otomatsu、Liming Bai、Naoya Fujita、Kazutoshi Shindo、Keiko Shimizu、Norihiko Misawa

  DOI：10.1016/j.molcatb.2010.05.015

  日期：2010.9

  The cytochrome P450 CYP153 family has been isolated from alkane-assimilating bacteria. CYP153 has been shown to mediate terminal hydroxylations of linear alkanes or alkyl aromatics. We here performed the biotransformation of various aromatic compounds by Escherichia coli cells that expressed the CYP153A13a (P450balk) gene, which was isolated from an alkane-degading marine bacterium Alcanivorax borkumensis. Aromatic compounds including a short alkyl moiety or methyl ether moiety, and phenolic compounds were converted to their respective hydroxylated products, whose structures were determined by HRMS and NMR analyses. The present study revealed that the catalytic function of CYP153A13a is multifunctional, i.e., it can hydroxylate not only the terminal of short alkyl groups that attached to aromatic rings but also the p-position of phenolic compounds substituted with a halogen or the acetyl group. CYP153A13a was also shown to demethylate methylether-including aromatic compounds. (C) 2010 Elsevier B.V. All rights reserved.