2-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]benzothiazoline | 1263379-81-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]benzothiazoline
• 英文别名: 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1,3-benzothiazole
• CAS: 1263379-81-2
• 化学式: C₂₂H₁₆BrN₃S
• 分子量: 434.359
• InChiKey: SGWFQIWJBZHRQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  55.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]benzothiazoline 在 二氯二甲基硅烷 作用下， 以 苯 为溶剂， 以94%的产率得到2-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-benzothiazole
  参考文献：
  名称：

  Novel, Mild, and Highly Efficient Method for the Synthesis of 2-Arylbenzothiazoles by the Oxidation of 2-Arylbenzothiazolines with Silicon Lewis Acids

  摘要：

  Oxidation of structurally diverse 2-arylbenzothiazolines to give the corresponding 2-arylbenzothiazoles has been carried out in benzene using dimethyldichlorosilane and trimethylchlorosilane. Short reaction times, mild reaction conditions, easy and quick isolation of the products, and excellent yields are the main advantages of this procedure.

  DOI：

  10.1080/00397910903531896
• 作为产物：
  描述：

  4-溴苯乙酮苯腙 在 三氯氧磷 作用下， 生成 2-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]benzothiazoline
  参考文献：
  名称：

  Novel, Mild, and Highly Efficient Method for the Synthesis of 2-Arylbenzothiazoles by the Oxidation of 2-Arylbenzothiazolines with Silicon Lewis Acids

  摘要：

  Oxidation of structurally diverse 2-arylbenzothiazolines to give the corresponding 2-arylbenzothiazoles has been carried out in benzene using dimethyldichlorosilane and trimethylchlorosilane. Short reaction times, mild reaction conditions, easy and quick isolation of the products, and excellent yields are the main advantages of this procedure.

  DOI：

  10.1080/00397910903531896

文献信息

• Novel, Mild, and Highly Efficient Method for the Synthesis of 2-Arylbenzothiazoles by the Oxidation of 2-Arylbenzothiazolines with Silicon Lewis Acids
  作者：Sonika、Meenakshi、Rajesh Malhotra

  DOI：10.1080/00397910903531896

  日期：2010.12.21

  Oxidation of structurally diverse 2-arylbenzothiazolines to give the corresponding 2-arylbenzothiazoles has been carried out in benzene using dimethyldichlorosilane and trimethylchlorosilane. Short reaction times, mild reaction conditions, easy and quick isolation of the products, and excellent yields are the main advantages of this procedure.