| 389613-34-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 389613-34-7
• 化学式: C₁₁H₈ClNOS
• 分子量: 237.71
• InChiKey: UKNAENVFFTUGQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.86
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 碘苯二乙酸 作用下， 以 甲醇 为溶剂， 以75%的产率得到5-chloro-2-(thiophen-2-yl)benzoxazole
  参考文献：
  名称：

  Iodine (III)-mediated synthesis of some 2-aryl/hetarylbenzoxazoles as antibacterial/antifungal agents

  摘要：

  Ten 2-aryl/hetarylbenzoxazoles (5a, 5b, and 6a-h) were synthesized via oxidative cyclization of Schiff bases (3a, 3b, and 4a-h) with 1.1 equivalent of iodobenzene diacetate (IBD) in methanol. All of these 2-aryl/hetarylbenzoxazoles (5a, 5b, and 6a-h) were tested in vitro for their antibacterial and antifungal activities against Bacillus subtilis, Bacillus stearothermophilus, Escherichia coli, and Pseudomonas putida. These compounds also were screened for their antifungal activity against Aspergillus flavus and Aspergillus niger. Biological activity of these compounds was compared with those of commercially available antibiotics, chloramphenicol and antifungal agent cycloheximide. Most of these compounds, 5a, 5b, 6a, 6b, 6d, 6e, 6g, 6h, were equipotent or more potent than these commercial drugs at concentration 100 mu g/ml.

  DOI：

  10.1007/s00044-009-9211-y
• 作为产物：
  描述：

  2-噻吩甲醛 、 4-氯-2-氨基苯酚 以 甲醇 为溶剂， 以84%的产率得到
  参考文献：
  名称：

  Iodine (III)-mediated synthesis of some 2-aryl/hetarylbenzoxazoles as antibacterial/antifungal agents

  摘要：

  Ten 2-aryl/hetarylbenzoxazoles (5a, 5b, and 6a-h) were synthesized via oxidative cyclization of Schiff bases (3a, 3b, and 4a-h) with 1.1 equivalent of iodobenzene diacetate (IBD) in methanol. All of these 2-aryl/hetarylbenzoxazoles (5a, 5b, and 6a-h) were tested in vitro for their antibacterial and antifungal activities against Bacillus subtilis, Bacillus stearothermophilus, Escherichia coli, and Pseudomonas putida. These compounds also were screened for their antifungal activity against Aspergillus flavus and Aspergillus niger. Biological activity of these compounds was compared with those of commercially available antibiotics, chloramphenicol and antifungal agent cycloheximide. Most of these compounds, 5a, 5b, 6a, 6b, 6d, 6e, 6g, 6h, were equipotent or more potent than these commercial drugs at concentration 100 mu g/ml.

  DOI：

  10.1007/s00044-009-9211-y