2-methoxy-4-methylphenoxybenzene | 128837-56-9

• 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: 2-methoxy-4-methylphenoxybenzene
• 英文别名: 4-Phenoxy-3-methoxytoluene；2-methoxy-4-methyl-1-phenoxybenzene
• CAS: 128837-56-9
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: JNGWVJQPDOPBHT-UHFFFAOYSA-N

物化性质

• 沸点：
  307.3±22.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methoxy-4-methylphenoxybenzene 在 氢碘酸 、 乙酸酐 、 溶剂黄146 作用下， 生成 5-Methyl-2-phenoxy-phenol
  参考文献：
  名称：

  PHENOXYQUINONES. 1. 2-PHENOXY-p-BENZOQUINONE AND 2-PHENOXY-5-METHYL-p-BENZOQUINONE

  摘要：

  DOI：

  10.1021/jo01151a030
• 作为产物：
  描述：

  羟基甲苯磺酰碘苯 在 caesium carbonate 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 14.33h， 生成 2-methoxy-4-methylphenoxybenzene
  参考文献：
  名称：

  离子液体负载型二芳基碘盐的合成

  摘要：

  描述了离子液体负载的二芳基碘盐的合成。合成简单实用，离子液体产品无需色谱纯化。离子液体负载的二芳基碘鎓盐非常稳定，即使在 5°C 下储存 1 个月后，它们也没有表现出任何分解或反应性丧失的迹象。在取代酚和羧酸的苯基化反应中探索了这些盐的反应性，并分别以良好的收率和高纯度合成了相应的二芳基醚和芳基酯。

  DOI：

  10.1002/ejoc.201301920

文献信息

• THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT
  申请人：Kataoka Tohru

  公开号：US20140194412A1

  公开（公告）日：2014-07-10

  The present invention provides an anticancer drug having a Ras function inhibitory action. The present invention provides a Ras function inhibitor comprising a compound represented by the formula (I′): wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供一种具有Ras功能抑制作用的抗癌药物。 本发明提供一种包括由式(I′)表示的化合物的Ras功能抑制剂： 其中每个符号如本说明书中所定义，或其盐。
• Catalytic Hydrogenolysis of Substituted Diaryl Ethers by Using Ruthenium Nanoparticles on an Acidic Supported Ionic Liquid Phase (Ru@SILP-SO3H)
  作者：Simon Rengshausen、Fabian Etscheidt、Johannes Großkurth、Kylie Luska、Alexis Bordet、Walter Leitner

  DOI：10.1055/s-0037-1611678

  日期：2019.3

  immobilized on an acidic supported ionic liquid phase (Ru@SILP-SO3H) as a multifunctional catalyst. The catalyst components are assembled through a molecular approach ensuring synergistic action of the metal and acid functions. The resulting catalyst is highly active for the hydrogenolysis of various diaryl ethers. For symmetric substrates such as diphenyl ether, hydrogenolysis is followed by full hydrodeoxygenation

  通过使用固定在酸性负载离子液相（Ru@SILP-SO3H）上的钌纳米颗粒作为多功能催化剂，实现了二芳基醚的催化氢解。催化剂组分通过分子方法组装，确保金属和酸功能的协同作用。所得催化剂对各种二芳基醚的氢解具有高度活性。对于对称底物如二苯醚，氢解之后是完全加氢脱氧，产生相应的环烷烃作为主要产物。对于不对称底物，C-O 键的断裂是区域选择性的，并且发生在未取代的苯环附近。由于在 Ru@SILP-SO3H 催化剂上苯的加氢比加氢脱氧更快，环己烷和取代酚的受控混合物可以以良好的选择性获得。Ru@SILP-SO3H 催化剂在 2-甲氧基-4-甲基苯氧基苯的连续流氢解中的应用通过商业设备进行了演示。
• Fungicidal methods, compounds and compositions containing benzophenones
  申请人：American Cyanamid Company

  公开号：EP0727141A2

  公开（公告）日：1996-08-21

  There is provided a method for the control of phytopathogenic fungi and disease caused thereby which comprises contacting said fungi with a fungicidally effective amount of a benzophenone compound of formula I There are further provided benzophenone compounds of formula Ia which are useful as fungicidal agents and compositions useful for the protection of plants from the damaging effects of phytopathogenic fungi and fungal disease.

  提供了一种控制植物病原真菌及其引起的病害的方法，该方法包括将所述真菌与杀真菌有效量的式 I 二苯甲酮化合物接触 进一步提供了式 Ia 的二苯甲酮化合物，其可用作杀真菌剂和组合物，用于保护植物免受植物病原真菌和真菌疾病的破坏性影响。
• Methoxy (and Hydroxy) Phenoxybenzoic Acids
  作者：Herbert E. Ungnade、Louis Rubin

  DOI：10.1021/jo50002a021

  日期：1951.8
• Inhibition of the Bacterial Enoyl Reductase FabI by Triclosan:  A Structure−Reactivity Analysis of FabI Inhibition by Triclosan Analogues
  作者：Sharada Sivaraman、Todd J. Sullivan、Francis Johnson、Polina Novichenok、Guanglei Cui、Carlos Simmerling、Peter J. Tonge

  DOI：10.1021/jm030182i

  日期：2004.1.1

  To explore the molecular basis for the picomolar affinity of triclosan for FabI, the enoyl reductase enzyme from the type II fatty acid biosynthesis pathway in Escherichia coli, an SAR study has been conducted using a series of triclosan analogues. Triclosan (1) is a slow, tight-binding inhibitor of FabI, interacting specifically with the E-NAD+ form of the enzyme with a K-1 value of 7 pM. In contrast, 2-phenoxyphenol (2) binds with equal affinity to the E.NAD+ (K-1 = 0.5 muM) and E.NADH (K-2 = 0.4 muM) forms of the enzyme and lacks the slow-binding step observed for triclosan. Thus, removal of the three triclosan chlorine atoms reduces the affinity of the inhibitor for FabI by 70 000-fold and removes the preference for the E.NAD+ FabI complex. 5-Chloro-2-phenoxyphenol (3) is a slow, tight-binding inhibitor of FabI and binds to the E.NAD+ form of the enzyme (K-1 = 1.1 pM) 7-fold more tightly than triclosan. Thus, while the two ring B chlorine atoms are not required for FabI inhibition, replacement of the ring A chlorine increases binding affinity by 450 000-fold. Given this remarkable observation, the SAR study was extended to the 5-fluoro-2-phenoxyphenol (4) and 5-methyl-2-phenoxyphenol (5) analogues to further explore the role of the ring A substituent. While both 4 and 5 are slow, tight-binding inhibitors, they bind substantially less tightly to FabI than triclosan. Compound 4 binds to both E.NAD+ and E.NADH forms of the enzyme with K-1 and K-2 values of 3.2 and 240 nM, respectively, whereas compound 5 binds exclusively to the E.NADH enzyme complex with a K-2 value of 7.2 nM. Thus, the ring A substituent is absolutely required for slow, tight-binding inhibition. In addition, pK(a) measurements coupled with simple electrostatic calculations suggest that the interaction of the ring A substituent with F203 is a major factor in governing the affinity of analogues 3-5 for the FabI complex containing the oxidized form of the cofactor.