2-(4-methoxybenzyloxymethyl)-3-trifluoromethyl-1,4-dimethoxynaphthalene | 415949-94-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(4-methoxybenzyloxymethyl)-3-trifluoromethyl-1,4-dimethoxynaphthalene
• 英文别名: 1,4-Dimethoxy-2-[(4-methoxyphenyl)methoxymethyl]-3-(trifluoromethyl)naphthalene
• CAS: 415949-94-9
• 化学式: C₂₂H₂₁F₃O₄
• 分子量: 406.402
• InChiKey: ZGMGOFFNJIZLGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(4-methoxybenzyloxymethyl)-3-trifluoromethyl-1,4-dimethoxynaphthalene 在 ammonium cerium(IV) nitrate 作用下， 以 水 、 乙腈 为溶剂， 反应 0.5h， 以79%的产率得到2-hydroxymethyl-3-trifluoromethyl-1,4-naphthoquinone
  参考文献：
  名称：

  Synthesis of 2-alkoxymethyl-3-trifluoromethyl-1,4-naphthoquinones

  摘要：

  2-Alkoxymethyl-3-trifluoromethyl-1,4-naphthoquinones were conveniently synthesized in two steps by treatment of 2-substituted-3-bromo-1,4-dimethoxynaphthalene with CF3COONa/CuI and subsequent dealkylative oxidation by treatment with cerium(IV) ammonium nitrate. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00791-8
• 作为产物：
  描述：

  2-bromo-3-(bromomethyl)-1,4-dimethoxynaphthalene 在 copper(l) iodide 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 14.5h， 生成 2-(4-methoxybenzyloxymethyl)-3-trifluoromethyl-1,4-dimethoxynaphthalene
  参考文献：
  名称：

  Synthesis of 2-alkoxymethyl-3-trifluoromethyl-1,4-naphthoquinones

  摘要：

  2-Alkoxymethyl-3-trifluoromethyl-1,4-naphthoquinones were conveniently synthesized in two steps by treatment of 2-substituted-3-bromo-1,4-dimethoxynaphthalene with CF3COONa/CuI and subsequent dealkylative oxidation by treatment with cerium(IV) ammonium nitrate. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00791-8

文献信息

• Synthesis of 2-alkoxymethyl-3-trifluoromethyl-1,4-naphthoquinones
  作者：Nguyen Van Tuyen、Bart Kesteleyn、Norbert De Kimpe

  DOI：10.1016/s0040-4020(01)00791-8

  日期：2002.1

  2-Alkoxymethyl-3-trifluoromethyl-1,4-naphthoquinones were conveniently synthesized in two steps by treatment of 2-substituted-3-bromo-1,4-dimethoxynaphthalene with CF3COONa/CuI and subsequent dealkylative oxidation by treatment with cerium(IV) ammonium nitrate. (C) 2002 Elsevier Science Ltd. All rights reserved.