4'-mercapto-biphenyl-4-carboxylic acid | 649770-58-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-mercapto-biphenyl-4-carboxylic acid
• 英文别名: 4'-mercaptobiphenyl-4-carboxylic acid；4'-Mercaptobiphenyl-4-carboxylic acid；4-(4-sulfanylphenyl)benzoic acid
• CAS: 649770-58-1
• 化学式: C₁₃H₁₀O₂S
• 分子量: 230.287
• InChiKey: IKKPYNQATXPOCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  423.2±38.0 °C(Predicted)
• 密度：
  1.280±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4'-mercapto-biphenyl-4-carboxylic acid 在 Oxone 、 sodium hydroxide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 31.0h， 生成 (4'-benzylcarbamoyl-biphenyl-4-sulfonyl)acetic acid sodium salt
  参考文献：
  名称：

  Discovery of Small-Molecule Inhibitors of the ATPase Activity of Human Papillomavirus E1 Helicase

  摘要：

  The Boehringer Ingelheim compound collection was screened for inhibitors of the ATPase activity of human papillomavirus El helicase to develop antiviral agents that inhibit human papillomavirus (HPV) DNA replication. This screen led to the discovery of (biphenyl-4-sulfonyl)acetic acid 1, which inhibits the ATPase activity of HPV type 6 E1 helicase with a low micromolar IC50 value. A hit-to-lead exercise rapidly converted 1 into a low nanomolar lead series.

  DOI：

  10.1021/jm034206x
• 作为产物：
  描述：

  4-溴茴香硫醚 在 四(三苯基膦)钯 N-甲基吡咯烷酮 、 sodium thiomethoxide 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 67.0h， 生成 4'-mercapto-biphenyl-4-carboxylic acid
  参考文献：
  名称：

  Deep UV Photopatterning of Biphenyl Thiol Self-Assembled Monolayer and its Physical Properties

  摘要：

  Aromatic thiol such as a 4'-mercapto-biphenyl-4-carboxylic acid was synthesized, and then the self-assembled monolayer (SAM) was fabricated on a gold substrate. The pattern formation of biphenyl thiol and alkanethiol SAMs was obtained by oxidation reaction due to the irradiation of deep UV light. The resulting positive pattern image and current-voltage (I-V) characteristics of biphenyl thiol and alkanethiols were investigated through the measurements of Atomic Force Microscope (AFM) and Scanning Tunneling Microscope (STM). In addition, cytochrome c protein was immobilized onto the patterned gold substrate by self-assembly technique and electrochemical activity was studied with a cyclic voltammetry.

  DOI：

  10.1080/15421400601027981

文献信息

• Problems of the Synthesis of Mercapto Derivatives from the Corresponding Hydroxy Polyphenylene Derivatives
  作者：A. V. Finko、A. S. Saakian、V. S. Bezborodov、S. G. Mikhalyonok、R. V. Talroze

  DOI：10.1134/s1070428023050135

  日期：2023.5

  Abstract The conversion of hydroxy polyphenylene derivatives into the corresponding thiols was studied with a view to explore the possibility to create new anisotropic nanocomposites based on organic molecules containing mercapto groups.

  摘要 研究了羟基聚亚苯基衍生物转化为相应的硫醇，以探索基于含巯基有机分子创建新型各向异性纳米复合材料的可能性。