(4-cyanothiophen-3-yl)boronic acid | 1219628-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: (4-cyanothiophen-3-yl)boronic acid
• 英文别名: (4-Cyanothiophen-3-yl)boronic acid
• CAS: 1219628-86-0
• 化学式: C₅H₄BNO₂S
• 分子量: 152.969
• InChiKey: ZNNDMPYROYPFDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-cyanothiophen-3-yl)boronic acid 、 7-bromo-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)thiophene-3-carbonitrile
  参考文献：
  名称：

  Identification of 2-(4-pyridyl)thienopyridinones as GSK-3β inhibitors

  摘要：

  The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3 beta inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.050

文献信息

• Palladium nanoparticles embedded on thiourea-modified chitosan: a green and sustainable heterogeneous catalyst for the Suzuki reaction in water
  作者：Abdullah Affrose、Palaniswamy Suresh、Ismail Abulkalam Azath、Kasi Pitchumani

  DOI：10.1039/c4ra14411b

  日期：——

  Palladium nanoparticles embedded on thiourea modified chitosan (TMC) are prepared in spherical and cubical shapes by intercalating Pd(OAc)₂ in TMC, a natural bio-polymer, and a subsequent reduction using ellagic acid as a natural and green reducing source in water.

  硫脲修饰的壳聚糖（TMC）上嵌入钯纳米颗粒，通过将Pd（OAc）2插层在TMC中，并使用鞣酸作为水中的天然绿色还原源进行后续还原，制备成球形和立方形形状。
• Identification of 2-(4-pyridyl)thienopyridinones as GSK-3β inhibitors
  作者：Gabriella Gentile、Giovanni Bernasconi、Alfonso Pozzan、Giancarlo Merlo、Paola Marzorati、Paul Bamborough、Benjamin Bax、Angela Bridges、Caroline Brough、Paul Carter、Geoffrey Cutler、Margarete Neu、Mia Takada

  DOI：10.1016/j.bmcl.2011.06.050

  日期：2011.8

  The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3 beta inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented. (C) 2011 Elsevier Ltd. All rights reserved.