(4-甲氧基苯基)庚酸酯 | 56052-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: (4-甲氧基苯基)庚酸酯
• 英文名称: 4-methoxyphenyl heptanoate
• 英文别名: Heptanoic acid, 4-methoxyphenyl ester；(4-methoxyphenyl) heptanoate
• CAS: 56052-15-4
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: OFVOGCINNCSTIO-UHFFFAOYSA-N

物化性质

• LogP：
  4.136 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,5-dichloro-2-heptanoylpyridazin-3(2H)-one 、 4-甲氧基苯酚 以 neat (no solvent) 为溶剂， 反应 0.17h， 以99%的产率得到(4-甲氧基苯基)庚酸酯
  参考文献：
  名称：

  Rapid and Ecofriendly Esterification of Alcohols with 2-Acylpyridazinones

  摘要：

  原子经济性的酯化反应在绿色化学中极为重要。在本研究中，我们展示了在无溶剂条件下，通过醇与2-酰基-4,5-二氯哒嗪-3(2H)-酮反应，无需催化剂和添加剂，在$100^{\circ}C$下实现醇的酯化反应。脂肪族和芳香族醇均能以良好至优异的产率转化为相应酯。值得注意的是，该反应无溶剂、原子经济性高、操作简便、反应迅速且成本低廉。

  DOI：

  10.5012/bkcs.2013.34.11.3410

文献信息

• Catalyst-free esterification of alcohols using 2-acyl-4,5-dichloropyridazinones under microwave conditions
  作者：Bo Ram Kim、Gi Hyeon Sung、Sang-Gyeong Lee、Yong Jin Yoon

  DOI：10.1016/j.tet.2013.02.046

  日期：2013.4

  Efficient and green esterification is of great importance. In this work, we demonstrate the catalyst-free esterification of alcohols by their reaction with 2-acy1-4,5-dichloropyridazin-3(2H)-ones under microwave irradiation. Aliphatic and aromatic alcohols were converted into the corresponding esters in good to excellent yields under microwave irradiation in solvent or solvent-free conditions. It is noteworthy that the reaction is catalyst-free, atom-economic, and rapid and that the process is inexpensive. (C) 2013 Elsevier Ltd. All rights reserved.
• Facile Esterification of Alcohols with 2-Acyl-4,5-dichloropyridazin-3(2H)-ones under Friedel–Crafts Conditions
  作者：Hyo Yoon、Yong-Jin Yoon、Bo Kim、Gi Sung、Ki Ryu、Sang-Gyeong Lee

  DOI：10.1055/s-0034-1378335

  日期：——

  This paper describes the esterification of aromatic and aliphatic alcohols by using 2-acyl-4,5-dichloropyridazin-3(2H)-ones as an acyl source under Friedel Crafts conditions. Twelve alcohols were reacted with four 2-acyl-4,5-dichloropyridazin-3(2H)-ones in the presence of AlCl3 in tetrahydrofuran at room temperature to give the corresponding esters in moderate to excellent yields. Thus, 2-acylpyridazin-3(2H)-ones serve as good and atom-economic acyl sources for the esterification of aromatic alcohols under Friedel Crafts conditions, representing a rapid, practical, and efficient method of esterification.