4-(1H-benzoimidazol-2-ylsulfanyl)phenol | 1257314-75-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(1H-benzoimidazol-2-ylsulfanyl)phenol
• 英文别名: 4-(1h-Benzo[d]imidazol-2-ylthio)phenol；4-(1H-benzimidazol-2-ylsulfanyl)phenol
• CAS: 1257314-75-2
• 化学式: C₁₃H₁₀N₂OS
• 分子量: 242.301
• InChiKey: WEWBMEIQWWFVEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 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：
  74.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-噻吩甲醛 、 4-(1H-benzoimidazol-2-ylsulfanyl)phenol 、 氰乙酸乙酯 在 potassium carbonate 作用下， 以 水 为溶剂， 生成 2-amino-6-(1H-benzoimidazol-2-ylsulfanyl)-4-thiophen-2-yl-4H-chromene-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  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

  摘要：

  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.

  DOI：

  10.1016/j.ejmech.2010.08.010
• 作为产物：
  描述：

  4-溴苯酚 、 1H-苯并咪唑-2-硫醇 在 potassium carbonate 作用下， 以 水 为溶剂， 生成 4-(1H-benzoimidazol-2-ylsulfanyl)phenol
  参考文献：
  名称：

  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

  摘要：

  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.

  DOI：

  10.1016/j.ejmech.2010.08.010

文献信息

• Cu@MTPOF as an Efficient Catalyst for the C–S Coupling of 2-Mercaptobenzimidazole with Aryl Halides and 2-Halobenzoic Acids
  作者：Shilpa H. Dani、Umesh R. Pratap

  DOI：10.1007/s10562-022-04092-2

  日期：——

  loaded in a melamine–terephthaldehyde based porous organic framework (MTPOF), and its catalytical activity is successfully examined for the C–S coupling reaction of 2-mercaptobenzimidazole with aryl halides and 2-halobenzoic acids. The MTPOF is synthesized by reacting melamine with terephthaldehyde, and then the copper acetate is integrated in the framework. The MTPOF and Cu@MTPOF have been characterized

  在过去的几年中，多孔有机框架因其各种应用（包括多相催化）而受到广泛关注。母体多孔有机骨架的催化活性通常通过在骨架中掺入或掺杂金属离子来提高。在这种情况下，铜被负载在基于三聚氰胺-对苯二甲醛的多孔有机骨架（MTPOF）中，并成功地检测了其对 2-巯基苯并咪唑与芳基卤化物和 2-卤代苯甲酸的 C-S 偶联反应的催化活性。MTPOF是通过三聚氰胺与对苯二甲醛反应合成的，然后将乙酸铜整合到骨架中。MTPOF 和 Cu@MTPOF 已通过 FTIR、SEM、EDS、固态 NMR、BET、TGA-DTG 和 XPS 分析进行了表征。 图形概要