2--benzothiazol | 3804-08-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2--benzothiazol
• 英文别名: 4-(benzothiazol-2-ylsulfanyl)phenol；4-(1,3-Benzothiazol-2-ylsulfanyl)phenol
• CAS: 3804-08-8
• 化学式: C₁₃H₉NOS₂
• 分子量: 259.353
• InChiKey: SGSBKEZLSHTVNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  碳酸乙烯酯 、 2--benzothiazol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以4.8 g的产率得到2-(4-(2-benzothiazolylthio)phenoxy)ethanol
  参考文献：
  名称：

  JP7056141

  摘要：

  公开号：
• 作为产物：
  描述：

  4-(苯并噻唑-2-磺酰基)苯胺 生成 2--benzothiazol
  参考文献：
  名称：

  174.杂环系列中的某些抗菌化合物。第四部分 苯并噻唑系列的非光敏碱性醚

  摘要：

  DOI：

  10.1039/jr9650000954

文献信息

• Mechanochemical Nickel‐Catalyzed Carbon‐Sulfur Bond Formation between Aryl Iodides and Aromatic Sulfur Surrogates
  作者：Xiujia Hao、Daming Feng、Hongguang Chen、Peng Huang、Fang Guo

  DOI：10.1002/chem.202302119

  日期：2023.10.26

  and mild carbon-sulfur coupling was realized by nickel catalysis under ball-milling conditions. The desired thioether products were generated from aryl iodides and aromatic thiol/disulfides with broad substrate scope. The Ni(i)/Ni(III) catalytic cycle was facilitated by the mechanochemistry process, thus providing an eco-friendly and time-saving strategy for the construction of the C−S bond in practical

  在球磨条件下通过镍催化实现了绿色温和的碳硫偶联。所需的硫醚产物由具有广泛底物范围的芳基碘化物和芳香族硫醇/二硫化物生成。机械化学过程促进了Ni(i)/Ni(III)催化循环，从而为实际合成化学中C−S键的构建提供了一种环保且省时的策略。
• Aqua mediated synthesis of 2-amino-6-benzothiazol-2-ylsulfanyl-chromenes and its in vitro study, explanation of the structure–activity relationships (SARs) as antibacterial agent
  作者：Mazaahir Kidwai、Roona Poddar、Saurav Bhardwaj、Satendra Singh、Pratibha Mehta Luthra

  DOI：10.1016/j.ejmech.2010.08.010

  日期：2010.11

  Multi-component reaction (MCR) involves coupling of p-bromophenol with 2-Benzothiazolethiol, malononitrile and substituted aldehydes in aqueous K(2)CO(3) as green base to synthesize 2-amino-6-benzothiazol-2-ylsulfanyl-chromenes. This multi-component reaction thus offers a higher yield and versatility in the preparation of densely functionalized oxygen heterocycles. The newly synthesized compounds were screened for their antibacterial activities against positive and gram negative pathogenic strains to bacteria. SAR analysis was performed to explore comprehensive structure activity relationships and a statistically reliable model to explain their antibacterial-activities. (C) 2010 Elsevier Masson SAS. All rights reserved.
• US4077962A
  申请人：——

  公开号：US4077962A

  公开（公告）日：1978-03-07