4-(2-甲基苯基)苯基硼酸 | 491595-36-9

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(2-甲基苯基)苯基硼酸
• 英文名称: p-tolyphenylboronic acid
• 英文别名: (2'-methyl-[1,1'-biphenyl]-4-yl)boronic acid；[4-(2-methylphenyl)phenyl]boronic acid
• CAS: 491595-36-9
• 化学式: C₁₃H₁₃BO₂
• 分子量: 212.056
• InChiKey: ZBZVBPYIBOLGCU-UHFFFAOYSA-N

物化性质

• 沸点：
  376.8±45.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)
• pKa：
  8.58±0.16 (Predicted,Most Acidic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.34
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-(2-甲基苯基)苯基硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 水 、 potassium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 甲苯 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  WO2020132471A5

  摘要：

  公开号：

  WO2020132471A5
• 作为产物：
  描述：

  2-甲基苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 正丁基锂 作用下， 以 甲苯 为溶剂， 生成 4-(2-甲基苯基)苯基硼酸
  参考文献：
  名称：

  WO2020132471A5

  摘要：

  公开号：

  WO2020132471A5

文献信息

• Rhodium-Catalyzed Highly Enantioselective Addition of Arylboronic Acids to Cyclic Aldimines: Practical Asymmetric Synthesis of Cyclic Sulfamidates
  作者：Ming-Hua Xu、Hui Wang

  DOI：10.1055/s-0033-1338418

  日期：——

  efficient asymmetric arylation of cyclic N-sulfonyl aldimines with arylboronic acids catalyzed by a rhodium/ sulfur­–olefin ligand complex under mild conditions is described. A wide range 4-aryl-3,4-dihydro-1,2,3-benzoxathiazine 2,2-dioxides were obtained in extremely high yields (93–99%) and high enantiomeric purities (97–99% ee). A highly efficient asymmetric arylation of cyclic N-sulfonyl aldimines with

  摘要 描述了在温和条件下，铑/硫-烯烃配体络合物催化的环状N-磺酰基醛亚胺与芳基硼酸的高效不对称芳基化反应。以极高的收率（93-99％）和高对映体纯度（97-99％ee）获得了范围广泛的4-芳基-3,4-二氢-1,2,3-苯并恶嗪2,2-二氧化物。 描述了在温和条件下，铑/硫-烯烃配体络合物催化的环状N-磺酰基醛亚胺与芳基硼酸的高效不对称芳基化反应。以极高的收率（93-99％）和高对映体纯度（97-99％ee）获得了范围广泛的4-芳基-3,4-二氢-1,2,3-苯并恶嗪2,2-二氧化物。
• Iridium complexes with aza-benzo fused ligands
  申请人：Universal Display Corporation

  公开号：US08946697B1

  公开（公告）日：2015-02-03

  Novel iridium complexes containing phenylpyridine and pyridyl aza-benzo fused ligands are described. Iridium complexes containing aza-benzo fused ligands in which an aryl group is conjugated to the aza ring of the specific aza-dibenzofuran ring system results in the formation of yellow phosphorescent compounds with superior device stability and efficiency. These complexes are useful as light emitters when incorporated into OLEDs.

  本文描述了含有苯基吡啶和吡啶氮杂苯并螯合配体的新型铱配合物。含有氮杂苯并螯合配体的铱配合物，其中芳基团与特定的氮杂二苯并呋喃环系的氮杂环共轭，形成了具有优异的器件稳定性和效率的黄色磷光化合物。当这些配合物被纳入OLED中时，它们可用作发光体。
• An improved Suzuki–Miyaura cross-coupling reaction with the aid of in situ generated PdNPs: evidence for enhancing effect with biphasic system
  作者：Abhijit Mahanta、Manoj Mondal、Ashim Jyoti Thakur、Utpal Bora

  DOI：10.1016/j.tetlet.2016.05.098

  日期：2016.7

  We present here an improved Suzuki-Miyaura cross-coupling in WERSA (Water Extract of Rice Straw Ash). We found that, although the reaction can be run in neat water, use of alcoholic co-solvent dramatically enhances the yield and generates in situ PdNPs during the reaction. The PdNPs were characterized by TEM and powder XRD analysis. The rice straw ash was characterized by EDX, Flame photometry, and Ion-Exchange chromatography to reveal a broad range of active metal species. The chemical analysis reports of ash showed the presence of oxides of K, Na, and Ca, which probably in the presence of water produces the corresponding hydroxides responsible for the basicity. (C) 2016 Elsevier Ltd. All rights reserved.
• Synthesis, crystal structure, DFT, vibrational properties, Hirshfeld surface and antitumor activity studies of 3-((4-methylpiperazin-1-yl) methyl)-1-octyl-5-(p-tolyl)-1H-pyrrolo[2,3-c]pyridine
  作者：Yuan Wang、Hong Sun、Xiangxiang Liu、Tianhui Liao、Ni Yang、Shifeng Ban、Zhixu Zhou、Chunshen Zhao

  DOI：10.1016/j.molstruc.2023.135760

  日期：2023.9

  3-((4-Methylpiperazin-1-yl)methyl)-1-octyl-5-(p-tolyl)-1H-pyrrolo[2,3-c] pyridine is a novel organic compound with a parent nucleus of pyridine[2,3-c]pyrrole. In this paper, the target compound was synthesized by 6 experimental steps and characterized by FT-IR, 1H NMR, 13C NMR spectroscopy, MS and X-ray diffraction. Based on 6-311+G(2d, p), the compound was geometrically optimized by density functional
• CN116262703
  申请人：——

  公开号：——

  公开（公告）日：——