5-(2,3-Dimethoxy-phenyl)-pentan-1-ol | 112008-55-6

• 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: 5-(2,3-Dimethoxy-phenyl)-pentan-1-ol
• 英文别名: 5-(2,3-Dimethoxyphenyl)pentan-1-OL；5-(2,3-dimethoxyphenyl)pentan-1-ol
• CAS: 112008-55-6
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: LHDRVUINHHJURU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(2,3-Dimethoxy-phenyl)-pentan-1-ol 在 咪唑 、 四甲基乙二胺 、 四丁基氟化铵 、 仲丁基锂 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of a water-soluble analog of 6-methyl-3-N-alkyl catechol labeled with carbon 13: NMR approach to the reactivity of poison ivy/oak sensitizers toward proteins

  摘要：

  A 13-C labeled water soluble derivative of alkylcatechol was synthesized and reacted with human serum albumin in phosphate buffer at PH 7.4 in air to allow a slow oxidation of the catechol into orthoquinone. The formation of several adducts was evidenced by a combination of C-13 and H-1-C-13 correlation NMR. Although some adducts could result from a classical o-quinone formation - Michael type addition, our results suggest that a second pathway, involving a direct reaction of a carbon centered radical with proteins could be an important mechanism in the formation of modified proteins, (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00151-1
• 作为产物：
  描述：

  邻苯二甲醚 、 tert-butyl((5-iodopentyl)oxy)dimethylsilane 在 正丁基锂 、 四丁基氟化铵 作用下， 生成 5-(2,3-Dimethoxy-phenyl)-pentan-1-ol
  参考文献：
  名称：

  Synthesis of a water-soluble analog of 6-methyl-3-N-alkyl catechol labeled with carbon 13: NMR approach to the reactivity of poison ivy/oak sensitizers toward proteins

  摘要：

  A 13-C labeled water soluble derivative of alkylcatechol was synthesized and reacted with human serum albumin in phosphate buffer at PH 7.4 in air to allow a slow oxidation of the catechol into orthoquinone. The formation of several adducts was evidenced by a combination of C-13 and H-1-C-13 correlation NMR. Although some adducts could result from a classical o-quinone formation - Michael type addition, our results suggest that a second pathway, involving a direct reaction of a carbon centered radical with proteins could be an important mechanism in the formation of modified proteins, (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00151-1

文献信息

• Synthesis of a catechol covalently bound to a tris-bipyridyl complex of ruthenium: A fluorescent potential hapten.
  作者：Jean-Pierre Lepoittevin、Henri Mattes、Claude Benezra

  DOI：10.1016/s0040-4039(00)96503-1

  日期：1987.1