2-(2-fluoro-5-methylphenyl)benzo[d]thiazole | 1528762-05-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(2-fluoro-5-methylphenyl)benzo[d]thiazole
• 英文别名: 2-(2-Fluoro-5-methylphenyl)-1,3-benzothiazole；2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
• CAS: 1528762-05-1
• 化学式: C₁₄H₁₀FNS
• 分子量: 243.305
• InChiKey: JLZWOYQCHSMRPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3-甲基苯基)-1,3-苯并噻唑 在 四(三苯基膦)钯 、 N-氟代双苯磺酰胺 、 L-脯氨酸 作用下， 以 环己烷 为溶剂， 反应 5.0h， 以60%的产率得到2-(2-fluoro-5-methylphenyl)benzo[d]thiazole
  参考文献：
  名称：

  Pd(PPh3)4-catalyzed direct ortho-fluorination of 2-arylbenzothiazoles with an electrophilic fluoride N-fluorobenzenesulfonimide (NFSI)

  摘要：

  An efficient protocol was developed for regio-selective Pd-catalyzed direct ortho-fluorination of 2-alylbenzo[d]thiazoles using N-fluorobenzenesulfonimide (NFSI) as the F+ source, and L-proline as the crucial promoter. The present method offered a practical route to synthesize valuable fluorinated products, which are of potential importance in the pharmaceutical and agrochemical industries. (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.11.034

文献信息

• Pd(PPh3)4-catalyzed direct ortho-fluorination of 2-arylbenzothiazoles with an electrophilic fluoride N-fluorobenzenesulfonimide (NFSI)
  作者：Qiuping Ding、Changqing Ye、Shouzhi Pu、Banpeng Cao

  DOI：10.1016/j.tet.2013.11.034

  日期：2014.1

  An efficient protocol was developed for regio-selective Pd-catalyzed direct ortho-fluorination of 2-alylbenzo[d]thiazoles using N-fluorobenzenesulfonimide (NFSI) as the F+ source, and L-proline as the crucial promoter. The present method offered a practical route to synthesize valuable fluorinated products, which are of potential importance in the pharmaceutical and agrochemical industries. (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved.