4-(3-methylbenzyl)pyridine | 130406-95-0

• 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-(3-methylbenzyl)pyridine
• 英文别名: 4-[(3-Methylphenyl)methyl]pyridine
• CAS: 130406-95-0
• 化学式: C₁₃H₁₃N
• 分子量: 183.253
• InChiKey: DZPJCZVXGZYGTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(3-methylbenzyl)pyridine 在 C₂₃H₂₂ClNORu 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以91%的产率得到4-(3-methylbenzoyl)pyridine
  参考文献：
  名称：

  一种含苯基苯并噁唑结构的半夹心钌配合物及其制备方法和应用

  摘要：

  本发明涉及一种含苯基苯并噁唑结构的半夹心钌配合物及其制备方法和应用，该钌配合物具有如下所示结构：其制备方法为：在室温下，将苯基苯并噁唑、[CymRuCl2]2和醋酸钠溶解在甲醇中，将体系升温后，继续反应；反应结束后，静置过滤，减压抽干溶剂，得到的粗产物进行柱层析分离得到红色的含苯基苯并噁唑结构的半夹心钌配合物，并应用于催化烷基吡啶类化合物氧化，制备含氮杂环的酮类化合物。与现有技术相比，本发明制备方法简单绿色、催化氧化反应在温和条件下即可进行、催化剂本身稳定性高、对空气和水均不敏感。

  公开号：

  CN112645984B
• 作为产物：
  描述：

  pyridin-4-yl(m-tolyl)methanol 在 甲酸 、 锌 作用下， 反应 16.0h， 以91%的产率得到4-(3-methylbenzyl)pyridine
  参考文献：
  名称：

  Flexible N-methyl-4-phenyl-1,2,3,6-tetrahydropyridine analog: synthesis and monoamine oxidase catalyzed bioactivation

  摘要：

  Eighteen analogues of N-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) were synthesized and evaluated as substrates of monoamine oxidase. In general, the flexible analogues, characterized by the presence of a methylene (or ethylene) bridge between the aryl/heteroaryl and tetrahydropyridyl moieties, were better substrates of the enzyme than the conformationally restricted MPTP. It is suggested that the increased oxidative activity of these flexible analogues reflects enhanced binding due to the ability of the C-4-aryl/heteroaryl substituent to gain access to a hydrophobic pocket within the substrate binding site.

  DOI：

  10.1021/jm00174a007

文献信息

• INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF
  申请人：Northwestern University

  公开号：US20210276960A1

  公开（公告）日：2021-09-09

  Disclosed are compounds, pharmaceutical compositions comprising the compounds, and methods of using the compounds and pharmaceutical compositions for treating a subject in need thereof. The disclosed compounds inhibit the activity of tissue transglutaminase 2 (TG2). As such, the disclosed compounds and pharmaceutical compositions may be utilized in methods for treating a subject having or at risk for developing a disease or disorder that is associated with TG2 activity which may be cell proliferative diseases and disorders such as cancer.

  揭示了化合物、包含这些化合物的药物组合物，以及利用这些化合物和药物组合物治疗需要的受试者的方法。所述的化合物抑制组织转谷氨酰胺酶2（TG2）的活性。因此，这些揭示的化合物和药物组合物可以用于治疗患有或有发展与TG2活性相关的疾病或紊乱的受试者的方法，这些疾病或紊乱可能是与细胞增殖相关的疾病或紊乱，如癌症。
• Compounds for the treatment of inflammatory diseases
  申请人：Hoenke Christoph

  公开号：US20070259846A1

  公开（公告）日：2007-11-08

  Dihydrothienopyrimidines of formula 1 and the pharmacologically acceptable salts, enantiomers, racemates, hydrates, or solvates thereof, which are suitable for the treatment of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin, or eyes, diseases of the peripheral or central nervous system or cancers, as well as pharmaceutical compositions which contain these compounds.

  化学式1的二氢噻吡嘧啶及其药理学上可接受的盐、对映体、消旋体、水合物或溶剂合物，适用于治疗呼吸道或胃肠道不适或疾病、关节、皮肤或眼睛的炎症性疾病、外周或中枢神经系统疾病或癌症，以及含有这些化合物的药物组合物。
• Lewis Acid Promoted Benzylic Cross-Couplings of Pyridines with Aryl Bromides
  作者：Stéphanie Duez、Andreas K. Steib、Sophia M. Manolikakes、Paul Knochel

  DOI：10.1002/anie.201103074

  日期：2011.8.8

  Either ZnCl2, Sc(OTf)3 , or BF3⋅OEt2 can promote the palladium‐catalyzed arylation of methylpyridines and related heterocycles (see example). The complexation of the Lewis acid to the nitrogen atom in the heterocycle facilitates the reductive elimination, leading to various arylated pyridines in high yields. BF3⋅OEt2 was also found to promote highly regioselective metalations in the case of 2,4‐lutidine

  ZnCl 2，Sc（OTf）3 或BF 3 OEt 2均可促进钯催化的甲基吡啶和相关杂环的芳基化（参见示例）。路易斯酸与杂环中氮原子的络合有助于还原消除，从而以高收率产生各种芳基化吡啶。BF 3 ⋅OEt 2还发现，以促进2,4-二甲基吡啶的情况下，高度选择性metalations。
• CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：SAMSUNG DISPLAY CO., LTD.

  公开号：US20180166635A1

  公开（公告）日：2018-06-14

  A condensed cyclic compound and an organic light-emitting device including the same, the condensed cyclic compound being represented by Formula 1:

  一种紧凑的环状化合物和包括该化合物的有机发光器件，所述紧凑的环状化合物由化学式1表示。
• AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF
  申请人：GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD.

  公开号：US20190315675A1

  公开（公告）日：2019-10-17

  The present disclosure relates to an aromatic amine derivative represented by general formula (I). The aromatic amine derivative has fluorescence emission at a short light emission wavelength, and the light-emission spectrum of the aromatic amine derivative has a narrow half-peak width, and accordingly, the material has deep-blue fluorescence emission and has a very-high light emission efficiency. An organic electroluminescent component prepared by using the aromatic amine derivative has deep-blue color coordinates, a high light emission efficiency and a long life-span.

  本公开涉及一种由通式（I）表示的芳香胺衍生物。该芳香胺衍生物在短波长下有荧光发射，且其光发射光谱具有窄的半峰宽度，因此该材料具有深蓝色荧光发射并具有非常高的光发射效率。使用该芳香胺衍生物制备的有机电致发光组件具有深蓝色坐标、高光发射效率和长寿命。