1-(1,1-dimethylethyl)-4-phenyl-1,2,3-triazole | 39786-24-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(1,1-dimethylethyl)-4-phenyl-1,2,3-triazole
• 英文别名: 1-tert-butyl-4-phenyl-1H-1,2,3-triazole；1-tert-butyl-4-phenyl-1H-[1,2,3]triazole；1-tert-Butyl-4-phenyl-1,2,3-triazol；1-t-Butyl-4-phenyl-1,2,3-triazole；1-tert-butyl-4-phenyltriazole
• CAS: 39786-24-8
• 化学式: C₁₂H₁₅N₃
• 分子量: 201.271
• InChiKey: LFAHOFJHWGFVFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  溴代叔丁烷 、 苯乙炔 在 sodium azide 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以64%的产率得到1-(1,1-dimethylethyl)-4-phenyl-1,2,3-triazole
  参考文献：
  名称：

  Cu(BTC)-MOF catalyzed multicomponent reaction to construct 1,4-disubstituted-1,2,3-triazoles

  摘要：

  Cu(BTC)-MOF catalyzed one-pot, three-component reaction of terminal alkynes, halides and sodium azide to form 1,4-disubstituted-1,2,3-triazoles was investigated. It was conducted in methanol under room temperature with good to excellent product yields. The Cu(BTC)-MOF catalyst could be easily recovered by filtration and be reused at least three recycles with no significant decrease in the yield. The method was demonstrated to be a truly green process with sustainability and economics. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2018.05.058

文献信息

• The effects of ionic liquids on azide-alkyne cycloaddition reactions
  作者：Stephen R. D. George、Gavin L. Edwards、Jason B. Harper

  DOI：10.1039/c0ob00306a

  日期：——

  The effect of a series of ionic liquids on the regioselectivity of the azide-alkyne cycloaddition process was investigated, demonstrating an increased selectivity for the least hindered triazole. The effects of an ionic liquid on the activation parameters for the process were determined and found to be intermediate between coordinating and non-coordinating salts. The importance of knowing the water content of the system is demonstrated by marked changes in the activation parameters in the presence of small concentrations of water.

  研究了一系列离子液体对叠氮-炔环化反应过程的区域选择性的影响，结果表明受阻最小的三唑的选择性增加。测定了离子液体对该过程活化参数的影响，发现其介于配位盐和非配位盐之间。在存在小浓度水的情况下，活化参数会发生明显变化，这表明了解体系中水含量的重要性。
• [EN] E-SELECTIN TARGETING AGENTS<br/>[FR] AGENTS DE CIBLAGE DE LA SÉLECTINE E
  申请人：GLYCOMIMETICS INC

  公开号：WO2022061168A1

  公开（公告）日：2022-03-24

  E-selectin ligands which are useful for the synthesis of E-selectin ligand-bearing carriers,wherein said E-selectin ligand-bearing carriers are directly or indirectly linked to or associated with at least one therapeutic agent, diagnostic agent, imaging agent, or radiopharmaceutical are described herein.

  本文描述了用于合成具有E-selectin配体的载体的E-selectin配体配体，其中所述的E-selectin配体载体直接或间接地与至少一种治疗剂、诊断剂、成像剂或放射性药物相关联或连接。
• Benzothiophene derivatives
  申请人：Hubbs Jed Lee

  公开号：US20090082308A1

  公开（公告）日：2009-03-26

  The present invention relates to a novel class of benzothiophene amide derivatives. The hydroxamic acid compounds can be used to treat cancer. The benzothiophene amide compounds can also inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the hydroxamic acid derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the hydroxamic acid derivatives in vivo.

  本发明涉及一类新型的苯并噻吩酰胺衍生物。这些羟肟酸化合物可用于治疗癌症。苯并噻吩酰胺化合物还可以抑制组蛋白去乙酰化酶，并适用于选择性诱导终末分化，阻止肿瘤细胞的生长和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的化合物可用于治疗具有肿瘤细胞增殖特征的患者。该发明的化合物也可用于预防和治疗TRX介导的疾病，如自身免疫性、过敏性和炎症性疾病，以及中枢神经系统（CNS）疾病的预防和/或治疗，如神经退行性疾病。本发明还提供了包含羟肟酸衍生物的药物组合物和这些药物组合物的安全剂量方案，易于遵循，并在体内产生治疗有效量的羟肟酸衍生物。
• Highly potent multimeric e-selectin antagonists
  申请人：GLYCOMIMETICS, INC.

  公开号：US11072625B2

  公开（公告）日：2021-07-27

  Compounds, compositions, and methods for treatment and/or prevention of at least one disease, disorder, and/or condition by inhibiting binding of an E-selectin to an E-selectin ligand are disclosed. For example, highly potent multimeric E-selectin antagonist are desorbed and pharmaceutical compositions comprising at least one of the same.

  本发明公开了通过抑制E-选择素与E-选择素配体的结合来治疗和/或预防至少一种疾病、失调和/或病症的化合物、组合物和方法。例如，高效多聚物 E-选择素拮抗剂脱附以及包含至少一种相同物质的药物组合物。
• Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists
  申请人：GLYCOMIMETICS, INC.

  公开号：US11197877B2

  公开（公告）日：2021-12-14

  Compounds, compositions, and methods for treatment and/or prevention of at least one disease, disorder, and/or condition by inhibiting binding of an E-selectin to an E-selectin ligand are disclosed. For example, E-selectin antagonists are described and pharmaceutical compositions comprising at least one of the same.

  本文公开了通过抑制 E-选择素与 E-选择素配体的结合来治疗和/或预防至少一种疾病、失调和/或病症的化合物、组合物和方法。例如，描述了 E-选择素拮抗剂和包含至少一种 E-选择素拮抗剂的药物组合物。