2-(5-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(5-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 英文别名: 2-(5-Methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 化学式: C₁₄H₂₁BO₃
• 分子量: 248.13
• InChiKey: ZAAWACMQRIPJAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(5-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 、 perfluorophenyl 1-chloroisoquinoline-6-sulfonate 、 Tripotassium;phosphate 在 二氯双[二叔丁基-(4-二甲基氨基苯基)膦]钯(II) 碳酸氢钠 、 magnesium sulfate 、 crude residue 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 Perfluorophenyl 1-(5-methoxy-2-methylphenyl)isoquinoline-6-sulfonate
  参考文献：
  名称：

  Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors

  摘要：

  本发明提供了I式化合物或其药学上可接受的盐，其为电压门控钠通道抑制剂，特别是Nav1.7。该化合物可用于治疗可通过钠通道抑制治疗的疾病，如疼痛障碍。还提供了含有本发明化合物的制药组合物。

  公开号：

  US20160137636A1
• 作为产物：
  描述：

  4-溴-3-氯苯甲醚 在 potassium phosphate 、 XPhos Pd G2 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 2-(5-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  参考文献：
  名称：

  Bicyclic sulfonamide compounds as sodium channel inhibitors

  摘要：

  本发明提供了式I的化合物及其药学上可接受的盐，这些化合物是钠通道的抑制剂，特别是Nav1.7。这些化合物对于治疗与钠通道活性相关的疾病，如疼痛障碍和瘙痒，是有用的。还提供了含有本发明化合物的药物组合物。

  公开号：

  US09212182B2

文献信息

• Single-Site Cobalt-Catalyst Ligated with Pyridylimine-Functionalized Metal–Organic Frameworks for Arene and Benzylic Borylation
  作者：Rajashree Newar、Wahida Begum、Neha Antil、Sakshi Shukla、Ajay Kumar、Naved Akhtar、Balendra、Kuntal Manna

  DOI：10.1021/acs.inorgchem.0c00747

  日期：2020.8.3

  also significantly more robust and active than its homogeneous control, highlighting the beneficial effect of active-site isolation within the MOF framework that prevents intermolecular decomposition. The experimental and computational studies suggested (pyrim•−)CoI(THF) as the active catalytic species within the MOF, which undergoes a mechanistic pathway of oxidative addition, turnover limiting σ-bond

  我们报告了一种基于多孔且坚固耐用的吡啶基嘧啶功能化的金属有机骨架（pyrim-MOF）的高活性单中心非均相钴催化剂，用于芳烃和苄基CH键的化学选择性硼化。由U-O-68拓扑结构构成的嘧啶-MOF由锆-簇的二级结构单元和嘧啶基官能化的二羧酸桥接桥连接体构成，先用CoCl 2进行金属化，然后用NaEt 3 BH处理，得到钴官能化的MOF催化剂（pyrim- MOF-Co）。Pyrim-MOF-Co具有广泛的底物范围，允许使用B 2销2对卤素，烷氧基，烷基取代的芳烃以及杂环系统进行C–H硼化或用HBpin（pin =频哪醇酯）作为硼酸酯化剂，以高收率得到相应的芳烃或烷基硼酸酯。Pyrim-MOF-Co的营业额（TON）高达2500，并且可以循环使用至少9次。Pyrim-MOF-Co还比其均质控件强得多，并且更具活性，突出了在MOF框架内进行主动位点隔离以防止分子间分解的有益作用。实验和计算研究表明（pyrim
• NAPHTHYRIDINES AS INHIBITORS OF HPK1
  申请人：Genentech, Inc.

  公开号：US20180282328A1

  公开（公告）日：2018-10-04

  Naphthyridine compounds and their use as inhibitors of HPK1 are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the naphthyridine compounds.

  萘啶化合物及其作为HPK1抑制剂的用途被描述。这些化合物在治疗HPK1依赖性疾病和增强免疫反应方面很有用。还描述了抑制HPK1的方法、治疗HPK1依赖性疾病的方法、增强免疫反应的方法以及制备萘啶化合物的方法。
• BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS
  申请人：AMGEN INC.

  公开号：US20140371201A1

  公开（公告）日：2014-12-18

  The present invention provides compounds of Formula I, and pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav1.7. The compounds are useful for the treatment of diseases associated with the activity of sodium channels such as pain disorders and itch. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了I式化合物及其药学上可接受的盐，该化合物是电压门控钠通道的抑制剂，尤其是Nav1.7。该化合物可用于治疗与钠通道活性相关的疾病，如疼痛障碍和瘙痒。还提供了含有本发明化合物的制药组合物。
• Mono‐Phosphine Metal‐Organic Framework‐Supported Cobalt Catalyst for Efficient Borylation Reactions
  作者：Rajashree Newar、Wahida Begum、Naved Akhtar、Neha Antil、Manav Chauhan、Ajay Kumar、Poorvi Gupta、Jaideep Malik、Balendra、Kuntal Manna

  DOI：10.1002/ejic.202101019

  日期：2022.4.8

  AbstractWe report a metal‐organic framework (MOF) supported monoligated phosphine‐cobalt complex, which is an active heterogeneous catalyst for aromatic C−H borylation and alkene hydroboration. The mono(phosphine)‐Co catalyst (MOF−P−Co) was prepared by metalation of a porous triarylphosphine‐functionalized MOF (MOF−P) with CoCl2 followed by activation with NaEt3BH. The MOF catalyst has a broad substrate scope with excellent functional group tolerance to afford arene‐ and alkyl‐boronate esters in excellent yields and selectivity. MOF−P−Co gave a turnover number (TON) of 30,000 and could be recycled and reused at least 13 times in arene C−H borylation. Importantly, the attempt to prepare the homogeneous control (Ph3P−Co) using triphenylphosphine was unsuccessful due to the facile disproportionation reactions or intermolecular ligand exchanges in the solution. In contrast, the site isolation of the active mono(phosphine)‐Co species within the MOF affords the robust and coordinatively unsaturated metal complexes, allowing to explore their catalytic properties and the reaction mechanism.