3-(4-氯苯氧基)-丙酸乙酯 | 67829-74-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-(4-氯苯氧基)-丙酸乙酯
• 英文名称: ethyl 3-(p-chlorophenoxy)propionate
• 英文别名: 3-(4-chloro-phenoxy)-propionic acid ethyl ester；3-(4-Chlor-phenoxy)-propionsaeure-aethylester；β-<4-Chlorphenoxy>-propionsaeureethylester；Propionic acid, 3-(p-chlorophenoxy)-, ethyl ester；ethyl 3-(4-chlorophenoxy)propanoate
• CAS: 67829-74-7
• 化学式: C₁₁H₁₃ClO₃
• 分子量: 228.675
• InChiKey: PJEFUCKPZXOCIV-UHFFFAOYSA-N

物化性质

• 熔点：
  34-35 °C
• 沸点：
  90 °C(Press: 0.2 Torr)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-氯苯氧基)-丙酸乙酯 在 硫酸 作用下， 反应 30.0h， 生成 3-(对氯苯氧基)丙酸
  参考文献：
  名称：

  Loiodice; Ferorelli; Tangari, Il Farmaco, 1993, vol. 48, # 1, p. 45 - 63

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴丙酸乙酯 、 对氯苯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 3-(4-氯苯氧基)-丙酸乙酯
  参考文献：
  名称：

  The synthesis and evaluation of phenoxyacylhydroxamic acids as potential agents for Helicobacter pylori infections

  摘要：

  Two series of omega-phenoxy contained acylhydroxamic acids as novel urease inhibitors were designed and synthesized. Biological activity evaluations revealed that co-phenoxypropinoylhydroxamic acids were more active than phenoxyacetohydroxamic acids. Out of these compounds, 3-(3,4-dichlorophenoxy)propionylhydroxamic acid c24 showed significant potency against urease in both cell free extract (IC50 = 0.061 +/- 0.003 mu M) and intact cell (IC50 = 0.89 +/- 0.05 mu M), being over 450- and 120-fold more potent than the clinically prescribed urease inhibitor AHA, repectively. Non-linear fitting of experimental data (V-[S]) suggested a mixed-type inhibition mechanism and a dual site binding mode of these compounds.

  DOI：

  10.1016/j.bmc.2018.07.003

文献信息

• CCL5 inhibitors
  申请人：AFECTA PHARMACEUTICALS, INC.

  公开号：US10940132B2

  公开（公告）日：2021-03-09

  Compounds, pharmaceutically acceptable salts, esters, prodrugs, and pharmaceutical compositions thereof are disclosed that are useful for inhibition of the biological activity of CCL5 on mammalian cells, as well as methods of treatment for diseases involving the increased biological activity of CCL5.

  所公开的化合物、药学上可接受的盐、酯、原药及其药物组合物有助于抑制 CCL5 在哺乳动物细胞上的生物活性，以及治疗涉及 CCL5 生物活性增加的疾病的方法。
• Thuillie,G., Chimica Therapeutica, 1966, vol. 1, p. 82 - 86
  作者：Thuillie,G.

  DOI：——

  日期：——
• Hayashi, Masatoshi; Wada, Kojiro; Munakata, Katsura, Agricultural and Biological Chemistry, 1983, vol. 47, # 11, p. 2653 - 2656
  作者：Hayashi, Masatoshi、Wada, Kojiro、Munakata, Katsura

  DOI：——

  日期：——
• 434. Preparation of β-phenoxypropionic acids by the reaction of phenols with ethyl acrylate
  作者：R. H. Hall、E. S. Stern

  DOI：10.1039/jr9490002035

  日期：——
• ZEIGER G.; HEILMANN D .; HENNING D.; KEMPTER G., WISS. Z. PAED. HOCH. K. LIEBKNECHT POTSDAM (TEIL 1), 1977, 21, NO 1, 29-4+
  作者：ZEIGER G.、 HEILMANN D .、 HENNING D.、 KEMPTER G.

  DOI：——

  日期：——

表征谱图