2-tert-butyl-4-(2-chloroethyl)phenol | 100669-69-0

• 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-tert-butyl-4-(2-chloroethyl)phenol
• 英文别名: 2-tert-Butyl-4-(2-chloroethyl)phenol
• CAS: 100669-69-0
• 化学式: C₁₂H₁₇ClO
• 分子量: 212.719
• InChiKey: MHCDXJVPJNEAML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4-(2-chloroethyl)phenol 、 4β-(2-acetylaminobenzoyloxy)-1α,14α,16β-trimethoxyaconitane-8,9-diol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以61%的产率得到4β-(2-acetylaminobenzoyloxy)-20-(3-tert-butyl-4-hydroxyphenethyl)-1α,14α,16β-trimethoxyaconitane-8,9-diol
  参考文献：
  名称：

  Study of alkaloids of the Siberian and Altai flora. 10. Synthesis of N(20)-deethyllappaconitine derivatives

  摘要：

  Efficient procedures were developed for N-deethylation of lappaconitine to give N(20)-deethyllappaconitine. Alkyl derivatives of N(20)-deethyllappaconitine, including labeled lappaconitine, and N(20)-acetoxy-N(20)-deethyllappaconitine were prepared for the first time. The assignments of the signals for the carbon atoms in the C-13 NMR spectra of lappaconitine and related lappaconine were refined using C-13-C-13 2D INADEQUATE and 2D C-13-H-1 correlation experiments.

  DOI：

  10.1023/b:rucb.0000012375.59390.38

文献信息

• Study of alkaloids of the Siberian and Altai flora. 10. Synthesis of N(20)-deethyllappaconitine derivatives
  作者：N. A. Pankrushina、I. A. Nikitina、N. V. Anferova、S. A. Osadchii、M. M. Shakirov、E. E. Shults、G. A. Tolstikov

  DOI：10.1023/b:rucb.0000012375.59390.38

  日期：2003.11

  Efficient procedures were developed for N-deethylation of lappaconitine to give N(20)-deethyllappaconitine. Alkyl derivatives of N(20)-deethyllappaconitine, including labeled lappaconitine, and N(20)-acetoxy-N(20)-deethyllappaconitine were prepared for the first time. The assignments of the signals for the carbon atoms in the C-13 NMR spectra of lappaconitine and related lappaconine were refined using C-13-C-13 2D INADEQUATE and 2D C-13-H-1 correlation experiments.