1-(6-ethoxy-4-ethyl-5-hydroxybiphenyl-3-yl)ethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(6-ethoxy-4-ethyl-5-hydroxybiphenyl-3-yl)ethanone
• 英文别名: 1-(4-ethoxy-2-ethyl-3-hydroxy-5-phenylphenyl)ethanone
• 化学式: C₁₈H₂₀O₃
• 分子量: 284.355
• InChiKey: AXRUXUACADUJAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  21.0
• 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：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3-己炔-2-酮 、 alpha- 溴苯乙烯 、 triethyloxonium fluoroborate 、 alkaline earth salt of/the/ methylsulfuric acid 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 六甲基磷酰三胺 为溶剂， 反应 1.0h， 生成 1-(2-ethoxy-5-ethyl-3-hydroxybiphenyl-4-yl)ethanone 、 1-(6-ethoxy-4-ethyl-5-hydroxybiphenyl-3-yl)ethanone
  参考文献：
  名称：

  The cycloaddition reactions of 2-ethoxy-3-phenylvinylketene iron(0) with alkynes to yield catechol derivatives

  摘要：

  Tricarbonyl(3-ethoxy-4-phenyl-1-oxa-1,2,4-pentatrienone) iron(0) reacts with a variety of electron deficient and electron rich alkynes to produce catechol monoethyl ethers in moderate to good yield. Steric hindrance of the alkyne often exerts a stronger influence than electronic factors in determining the product distribution. The reaction with several alkyl, silyl, and aryl alkynes produced alkyne trimers as the major products. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.11.140

文献信息

• The cycloaddition reactions of 2-ethoxy-3-phenylvinylketene iron(0) with alkynes to yield catechol derivatives
  作者：Nicholas D. Darbasie、Wayne F.K. Schnatter、Kirstin F. Warner、Nicolae Manolache

  DOI：10.1016/j.tetlet.2005.11.140

  日期：2006.2

  Tricarbonyl(3-ethoxy-4-phenyl-1-oxa-1,2,4-pentatrienone) iron(0) reacts with a variety of electron deficient and electron rich alkynes to produce catechol monoethyl ethers in moderate to good yield. Steric hindrance of the alkyne often exerts a stronger influence than electronic factors in determining the product distribution. The reaction with several alkyl, silyl, and aryl alkynes produced alkyne trimers as the major products. (c) 2005 Elsevier Ltd. All rights reserved.