2-((叔丁基二甲基甲硅烷基氧基)甲基)-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)吡啶 | 880495-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-((叔丁基二甲基甲硅烷基氧基)甲基)-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)吡啶
• 英文名称: 2-(((tert-butyldimethylsilyl)oxy)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 英文别名: 2-((Tert-butyldimethylsilyloxy)methyl) pyridine-4-boronic acid pinacol ester；tert-butyl-dimethyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methoxy]silane
• CAS: 880495-84-1
• 化学式: C₁₈H₃₂BNO₃Si
• 分子量: 349.353
• InChiKey: HHPSYFYQUPVLNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为产物：
  描述：

  Ethoxycarbonyl 4-chloropyridine-2-carboxylate 在 咪唑 、 palladium diacetate 、 lithium aluminium tetrahydride 、 1,3-双-(2,6-二异丙基苯基)咪唑鎓氯化物 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.5h， 生成 2-((叔丁基二甲基甲硅烷基氧基)甲基)-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)吡啶
  参考文献：
  名称：

  Biological evaluation of isothiazoloquinolones containing aromatic heterocycles at the 7-position: In vitro activity of a series of potent antibacterial agents that are effective against methicillin-resistant Staphylococcus aureus

  摘要：

  We synthesized a diverse series of 9H-isothiazolo[5,4-b]quinoline-3,4-diones containing heteroaromatic groups at the 7-position via palladium-catalyzed cross-coupling. Many of these compounds demonstrated potent antistaphylococcal activity (MICs <= 2 mu g/mL) against a multi-drug-resistant strain (ATCC 700699) and low cytotoxic activity (CC50 > 100 mu M) against the human cell line Hep2 (laryngeal carcinoma). (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.064

文献信息

• meta-Selective C–H Borylation of Benzamides and Pyridines by an Iridium–Lewis Acid Bifunctional Catalyst
  作者：Lichen Yang、Nao Uemura、Yoshiaki Nakao

  DOI：10.1021/jacs.9b03138

  日期：2019.5.15

  We report herein the iridium-catalyzed meta-selective C-H borylation of benzamides by using a newly designed 2,2'-bipyridine (bpy) ligand bearing an alkylaluminum biphenoxide moiety. We also demonstrate the iridium-catalyzed C3-selective C-H borylation of pyridine with a 1,10-phenanthroline (Phen) ligand bearing an alkylborane moiety. It is proposed that the Lewis acid-base interaction between the

  我们在此报告了通过使用新设计的带有烷基铝联苯氧化物部分的 2,2'-联吡啶 (bpy) 配体，铱催化的苯甲酰胺的间位选择性 CH 硼酸化。我们还展示了吡啶与带有烷基硼烷部分的 1,10-菲咯啉 (Phen) 配体的铱催化的 C3 选择性 CH 硼酸化。提出路易斯酸部分与氨基羰基或 sp2 杂化氮原子之间的路易斯酸碱相互作用加速反应并控制位点选择性。
• [EN] PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN<br/>[FR] DÉRIVÉS DE PYRAZOLO[1,5-A]PYRIMIDINE AYANT UNE ACTIVITÉ MULTIMODALE CONTRE LA DOULEUR
  申请人：ESTEVE PHARMACEUTICALS SA

  公开号：WO2021239558A1

  公开（公告）日：2021-12-02

  The present invention relates to pyrazolopyrimidine derivatives having dual pharmacological activity towards both the α2δ subunit of the voltage-gated calcium channel and the sigma-1 (σ1) receptor, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.

  本发明涉及一种对电压门控钙通道的α2δ亚基和sigma-1（σ1）受体具有双重药理活性的吡唑吡咪啉衍生物，涉及制备这类化合物的方法，包括它们的药物组合物，以及它们在治疗中的应用，特别是用于治疗疼痛。
• Biological evaluation of isothiazoloquinolones containing aromatic heterocycles at the 7-position: In vitro activity of a series of potent antibacterial agents that are effective against methicillin-resistant Staphylococcus aureus
  作者：Jason A. Wiles、Yongsheng Song、Qiuping Wang、Edlaine Lucien、Akihiro Hashimoto、Jijun Cheng、Christopher W. Marlor、Yangsi Ou、Steven D. Podos、Jane A. Thanassi、Christy L. Thoma、Milind Deshpande、Michael J. Pucci、Barton J. Bradbury

  DOI：10.1016/j.bmcl.2005.11.064

  日期：2006.3

  We synthesized a diverse series of 9H-isothiazolo[5,4-b]quinoline-3,4-diones containing heteroaromatic groups at the 7-position via palladium-catalyzed cross-coupling. Many of these compounds demonstrated potent antistaphylococcal activity (MICs <= 2 mu g/mL) against a multi-drug-resistant strain (ATCC 700699) and low cytotoxic activity (CC50 > 100 mu M) against the human cell line Hep2 (laryngeal carcinoma). (C) 2005 Elsevier Ltd. All rights reserved.