2-methyl-5-[2]naphthyl-oxazole | 107624-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-methyl-5-[2]naphthyl-oxazole
• 英文别名: 2-Methyl-5-[2]naphthyl-oxazol；2-Methyl-5-(2-naphthyl)oxazole；2-methyl-5-naphthalen-2-yl-1,3-oxazole
• CAS: 107624-45-3
• 化学式: C₁₄H₁₁NO
• 分子量: 209.247
• InChiKey: UTEJDZPOVMWSBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  356.8±11.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.03
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  N-(2-(naphthalen-2-yl)-2-oxoethyl)acetamide 在 甲苯 、 三氯氧磷 作用下， 生成 2-methyl-5-[2]naphthyl-oxazole
  参考文献：
  名称：

  Untersuchungen in der Reihe der Isochinoline. IV. Teil. Synthesen von Benzo-Isochinolonen und Untersuchung der Methoden, Isochinoline aus dem Naphthalinring herzustellen

  摘要：

  DOI：

  10.1002/ardp.19392770805

文献信息

• Sytsch, Ukrainskij Khimicheskij Zhurnal, 1958, vol. 24, p. 79,87
  作者：Sytsch

  DOI：——

  日期：——
• Gold-catalyzed oxazoles synthesis and their relevant antiproliferative activities
  作者：Chao Wu、Zhi-Wu Liang、Ying-Ying Xu、Wei-Min He、Jian-Nan Xiang

  DOI：10.1016/j.cclet.2013.06.026

  日期：2013.12

  Nine 5-aryl-2-methyloxazole derivatives were synthesized via gold-catalyzed alkyne oxidation. All of the compounds have been screened for their antiproliferative activities against MCF-7 cell (human breast carcinoma), A549 cell (human lung carcinoma) and Hela cell (human cervical carcinoma) lines in vitro. The results revealed that compounds 1b, 1c and 1d exhibited strong inhibitory activities against the MCF-7 cell lines (with IC50 values of 4.6, 9.7 and 2.2 mu mol/L, respectively). (C) 2013 Wei-Min He and Jian-Nan Xiang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.