4-methylguaiacol sodium salt

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methylguaiacol sodium salt
• 英文别名: sodium 2-methoxy-4-methylphenolate；NaOC6H3-p-CH3-o-OCH3；sodium 4-methyl-2-methoxyphenoxide；Sodium;2-methoxy-4-methylphenolate
• 化学式: C₈H₉O₂*Na
• 分子量: 160.148
• InChiKey: UDQJHTBENMPPEK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.92
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-methylguaiacol sodium salt 在 lithium aluminium tetrahydride 作用下， 以 乙醇 为溶剂， 生成 2-(2-Methoxy-4-methylphenoxy)propane-1,3-diol
  参考文献：
  名称：

  Berndtson,L. et al., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1974, vol. 28, p. 333 - 338

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Methoxy-4-methylphenoxyl radical 在 Sodium borate 、 sodium azide 、 二氧化氮 、 叔丁醇 作用下， 以 水 为溶剂， 生成 4-methylguaiacol sodium salt
  参考文献：
  名称：

  涉及苯氧基的自由基组合反应

  摘要：

  The rates of phenoxyl radical reactions with the superoxide anion radical, O2.-, a peroxyl radical, HOC(CH3)2CH2OO., and an alkyl radical, HOC(CH3)2CH2., in aqueous solution have been measured for 15 different phenoxyl radicals by means of pulse radiolysis. In addition, the one-electron reduction potentials of 10 phenoxyl radicals have been determined. The fraction of electron transfer in the reaction of phenoxyl radicals with O2.-was determined by analysis of gamma-irradiated samples. The experimental data can be accommodated by the Marcus theory for electron transfer, with the reorganization energy lambda-degrees = 155 kJ/mol for the reaction between O2.- and phenoxyl radicals.

  DOI：

  10.1021/j100133a018

文献信息

• 1-3-(4-Fluorobenzoyl)propyl-4-substituted phenoxy ethyl piperazine
  申请人：Kali-Chemie Aktiengesellschaft

  公开号：US03966735A1

  公开（公告）日：1976-06-29

  Piperazine derivatives having the following general formula ##EQU1## in which n is 2 or 3, X is an oxy or thio radical, and A and B are each a radical of the group consisting of phenyl radicals containing at most three substituents of the group consisting of nitro, trifluoromethyl, halogen, cyano, and alkyl, alkoxy, alkylthio, acyl, and alkylsulfonyl radicals containing at most 6 carbon atoms, and similar cycloalkyl and cycloalkylalkyl radicals, their acid addition salts, processes for their production, and pharmaceutical compositions containing the same. The compounds have a very favorable action on the central nervous system and are effective agents for the treatment of anxiety states, psychoses, emotional disturbances, aggressive tendencies, and can be used generally for the treatment of psychiatrically disturbed and psychoneurotic patients.

  哌嗪衍生物具有以下一般公式##EQU1##其中n为2或3，X为氧基或硫基，A和B分别为苯基基团，最多含有三个取代基，所述取代基包括硝基、三氟甲基、卤素、氰基、烷基、烷氧基、烷硫基、酰基和最多含有6个碳原子的烷基磺酰基基团，以及类似的环烷基和环烷基烷基基团，它们的酸盐，其生产方法，以及含有它们的药物组合物。这些化合物对中枢神经系统有非常有利的作用，是治疗焦虑状态、精神病、情绪障碍、攻击性倾向的有效药物，并且通常可用于治疗精神紊乱和神经症患者。
• Palladium-Catalyzed C−O Coupling Involving Unactivated Aryl Halides. Sterically Induced Reductive Elimination To Form the C−O Bond in Diaryl Ethers
  作者：Grace Mann、Christopher Incarvito、Arnold L. Rheingold、John F. Hartwig

  DOI：10.1021/ja984321a

  日期：1999.4.1

  limited to palladium complexes with aromatic systems that are highly activated and undergo direct, uncatalyzed nucleophilic aromatic substitution chemistry. Thus, it is unactivated aryl halides that are crucial substrates to include in transition metal-catalyzed C-O coupling chemistry, and they report that Pd complexes with sterically hindered alkylphosphines (1) undergo thermal reductive elimination

  从过渡金属配合物中还原消除醚是一种罕见的元素反应，仅限于特殊情况。芳醚亚结构的重要性为在温和条件下以通用方式制备芳基-氧键的合成提出了挑战。Pd 催化的 CO 偶联可能是这一合成问题的解决方案，但作为该催化过程的关键步骤的无环醚的还原消除仅限于具有高度活化的芳族系统的钯配合物，并经历直接的、未催化的亲核芳族取代化学。因此，未活化的芳基卤化物是过渡金属催化的 CO 偶联化学中的关键底物，并且他们报告说，Pd 与位阻烷基膦的配合物（1）经过热还原消除，从与未活化的金属键合芳基的配合物在二芳基醚中形成 CO 键，（2）催化未活化的芳基形成二芳基醚和受保护的酚卤化物。这些发现证明了空间位阻烷基膦加速还原消除的概念。
• Role of alkali in catalytic oxidation of p -cresols
  作者：Qiyi Ma、Cheng Liang、Kexian Chen、Kejing Liu、Jianyong Mao、Zhirong Chen、Haoran Li

  DOI：10.1016/j.molcata.2016.04.003

  日期：2016.8

  the oxidation of p-cresols suggested the phenoxy radical mechanism rather than the classic benzyl radical mechanism proposed for interpreting the oxidation of non-hydroxyl aromatic hydrocarbons. These conclusions contribute significantly to both the understanding of role of alkali during the reaction process and the mechanism study for the catalytic oxidation of cresols and non-hydroxyl aromatic hydrocarbons

  碱作为对甲酚液相催化氧化对羟基芳香醛的关键组分的研究还远远不够，因此进行了详细的探索。观察到对甲酚被碱活化以形成酚盐，以确保通过比较对甲酚及其酚钠的氧化来证明温和的反应条件。鉴于对副产物分布的分析，还发现过量的碱通过抑制二聚副产物的形成而提高了醛的选择性。碱性醇阴离子促进对苯醌甲基化物和溶剂之间的1,6-加成反应。因此，在具有高 pKa 值和高水含量的溶剂中需要更多的碱。对甲酚氧化过程中痕量酸的检测表明苯氧基自由基机制，而不是为解释非羟基芳烃氧化而提出的经典苄基自由基机制。这些结论对理解碱在反应过程中的作用以及甲酚和非羟基芳烃的催化氧化机理研究都有重要意义。
• Tricyclic heterocyclic derivatives and uses thereof
  申请人：AUCKLAND UNISERVICES LIMITED

  公开号：US11028064B2

  公开（公告）日：2021-06-08

  Disclosed are tricyclic heterocyclic compounds having kinase inhibitory activity, pharmaceutical compositions and kits comprising the compounds, and use of the compounds in the treatment of or in medicaments for the treatment of various diseases and conditions. In particular, disclosed are tricyclic heterocyclic compounds of the formula (I) having CSF-1R (c-FMS kinase) inhibitory activity and their use in the treatment of various diseases and conditions, such as those mediated by CSF-1R, including proliferative or neoplastic diseases and conditions, including cancers, and bone, inflammatory, and autoimmune diseases and conditions.

  本发明公开了具有激酶抑制活性的三环杂环化合物、包含这些化合物的药物组合物和试剂盒，以及这些化合物在治疗各种疾病和病症中的用途或在治疗各种疾病和病症的药物中的用途。特别是，公开了具有CSF-1R（c-FMS激酶）抑制活性的式(I)三环杂环化合物及其在治疗各种疾病和病症中的用途，例如由CSF-1R介导的疾病和病症，包括增殖性或肿瘤性疾病和病症，包括癌症，以及骨、炎症和自身免疫性疾病和病症。
• WO2018/83635
  申请人：——

  公开号：——

  公开（公告）日：——