4-tert-butyl-2,6-dichloropyridine | 1350449-23-8

• 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
• 英文名称: 4-tert-butyl-2,6-dichloropyridine
• CAS: 1350449-23-8
• 化学式: C₉H₁₁Cl₂N
• 分子量: 204.099
• InChiKey: NZBWJWSQADQOKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-tert-butyl-2,6-dichloropyridine 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四丁基溴化铵 、 potassium carbonate 、 potassium hydroxide 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 12.0h， 生成 4-(tert-butyl)-2-(2,4-difluorophenyl)-6-(1H-imidazol-1-yl)pyridine
  参考文献：
  名称：

  Bis-Tridentate Iridium(III) Phosphors Bearing Functional 2-Phenyl-6-(imidazol-2-ylidene)pyridine and 2-(Pyrazol-3-yl)-6-phenylpyridine Chelates for Efficient OLEDs

  摘要：

  Proligands to the monoanionic tridentate chelate 4-(tert-buty1)-2-(2,4-difluoropheryyl)-6-(3-isopropylimidazol-2-ylidene)pyridine ((phpyim-H-2)PF6) and dianionic tridentate chelates derived from functional 2-pyrazol-3-y1-6phenylpyridine chelates, i.e. L-1-H-2 L-5-H-2, have been synthesized and characterized. Treatment of (phpyim-H2)PF6 with [Ir(COD)(gamma-Cl)]2 in the presence of sodium acetate, followed by heating at 200 degrees C with 1 equiv of the dianionic chelate, afforded the respective charge-neutral, bis-tridentate Ir(III) complexes [Ir(phpyim)(Ln)] (1-5; n = 1-5). The hydride complex [Ir(phpyim)(L5-H)(H)] (6)' was made when the "one-pot" reaction of (phpyim-H2)PF6, [Ir(COD)(yC1)h, and L5-H2 was carried out at 140 C. Complex 6 is likely an intermediate 5 on heating to 200 C. Compounds 1-6 have been characterized by NMR spectroscopy, and, in the cases of 1, 5, and 6, by Xray structural analysis. TD-DFT computations confirmed that the emission bands are derived from 3MLCT transitions involving the chelates L1 L5, resulting in a wide range of emission wavelengths from 473 (cyan) to 608 nm (orange-red) observed'for 1 5. A series of green- and red-emitting organic light-emitting diodes (OLEDs) with a simplified trilayer architecture were fabricated using the as-prepared Ir(III) complexes 2 and 5, respectively. A' maximum external quantum efficiency of 18.8%, a luminance efficiency of 58.5 cd/A, and a power efficiency of 57.4 lm/W were obtained for the green-emitting OLEDs (2), which compares with 15.4%, 10.4 cd/A, and 9.0 lm/W obtained for the red-emitting OLEDs (5). The high efficiencies of these OLED devices suggest great potential for these bis-tridentate Ir(III) metal phosphors in the fabrication of multicolored OLED devices.

  DOI：

  10.1021/acs.organomet.6b00205
• 作为产物：
  描述：

  4-叔丁基-2-氯-吡啶 在 双氧水 、 溶剂黄146 、 三氯氧磷 作用下， 以 水 为溶剂， 生成 4-tert-butyl-2,6-dichloropyridine
  参考文献：
  名称：

  带有金（III）氢化物的立体和区域选择性炔烃加氢金属化

  摘要：

  发现氢化金（III）络合物[（C ^ N ^ C）AuH]对内部和末端炔烃的加氢强化作用是由自由基介导的，并通过意想不到的双核外球机理进行，从而干净地形成反插入产物。诸如偶氮二异丁腈之类的自由基前体导致速率急剧增加。DFT计算支持拟议的激进机制，具有很低的激活障碍，并排除了单核机制的替代方案。这些炔烃水合反应对Z-乙烯基异构体的形成具有高度的区域和立体特异性，在大多数情况下Z / E比率> 99：1。

  DOI：

  10.1002/anie.201607522

文献信息

• UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION
  申请人：Chen Dawei

  公开号：US20090082261A1

  公开（公告）日：2009-03-26

  The invention provides compounds urea-containing peptide compounds of Formula I and the pharmaceutically salts and hydrates thereof. The variables T, R 1 -R 9 , J, L, M, Y, Z, m, n, and t are defined herein. Certain compounds of Formula I are useful as antiviral agents. Certain urea-containing peptide compounds disclosed herein are potent and/or selective inhibitors of viral replication, particularly Hepatitis C virus replication. The invention also provides pharmaceutical compositions containing one or more urea containing peptides compounds and one or more pharmaceutically acceptable carriers, excipients, or diluents. Such pharmaceutical compositions may contain a urea containing peptides compound as the only active agent or may contain a combination of a urea containing peptides compound and one or more other pharmaceutically active agents. The invention also provides methods for treating viral infections, including Hepatitis C infections, in mammals.

  本发明提供了含有尿素的多肽化合物，其结构如式I所示，以及它们的药物盐和 hydrates（水合物）。 变量T，R1-R9，J，L，M，Y，Z，m，n和t在此文中定义。式I中的某些化合物作为抗病毒剂是有用的。本文中公开的某些含尿素的多肽化合物是病毒复制的强效和/或选择性抑制剂，尤其是丙型肝炎病毒复制。本发明还提供了包含一个或多个含尿素多肽化合物以及一个或多个药物可接受载体、辅料或稀释剂的药物组合物。这样的药物组合物可以仅含有一个含尿素多肽化合物作为唯一的活性成分，也可以包含一个含尿素多肽化合物与一个或多个其他药物活性成分的组合。本发明还提供了治疗哺乳动物中病毒感染的方法，包括丙型肝炎感染。
• [EN] HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DU CANCER
  申请人：ARTIOS PHARMA LTD

  公开号：WO2021028643A1

  公开（公告）日：2021-02-18

  The application relates to heterocyclic amide derivatives and their use in the treatment and prophylaxis of cancer, and to compositions containing said derivatives and processes for their preparation. (Formula (I))

  该申请涉及杂环酰胺衍生物及其在癌症治疗和预防中的应用，以及含有这些衍生物的组合物和其制备方法。(化学式(I))
• [EN] COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS<br/>[FR] COMPOSÉS POUR LE TRAITEMENT D'INFECTIONS VIRALES PAR PARAMYXOVIRUS
  申请人：ALIOS BIOPHARMA INC

  公开号：WO2014031784A1

  公开（公告）日：2014-02-27

  Disclosed herein are new antiviral compounds, together with pharmaceutical compositions that include one or more antiviral compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a paramyxovirus viral infection with one or more small molecule compounds. Examples of paramyxovirus infection include an infection caused by human respiratory syncytial virus (RSV).

  本文披露了新的抗病毒化合物，以及包含一种或多种抗病毒化合物的药物组合物，并且揭示了合成这些化合物的方法。本文还披露了利用一种或多种小分子化合物改善和/或治疗副黏病毒病毒感染的方法。副黏病毒感染的例子包括由人类呼吸道合胞病毒（RSV）引起的感染。
• COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF
  申请人：Tu Zhude

  公开号：US20200369626A1

  公开（公告）日：2020-11-26

  Described are compounds for the binding of S1PR2, and imaging agents and pharmaceutical compositions including said compounds. Also described are methods employing the compounds, imaging agents, and pharmaceutical compositions. These methods include imaging and/or treatment of diseases associated with S1PR2.

  描述了用于结合S1PR2的化合物，以及包括这些化合物的成像剂和药物组合物。还描述了使用这些化合物、成像剂和药物组合物的方法。这些方法包括与S1PR2相关的疾病的成像和/或治疗。
• 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION
  申请人：Phadke Avinash

  公开号：US20090048297A1

  公开（公告）日：2009-02-19

  The invention provides 4-amino-4-oxobutanoyl peptide compounds of Formula I and the pharmaceutically salts and hydrates thereof. The variables R 1 -R 9 , R 16 , R 18 , R 19 , n, M, n, M, and Z are defined herein. Certain compounds of Formula I are useful as antiviral agents. Certain 4-amino-4-oxobutanoyl peptide compounds disclosed herein are potent and/or selective inhibitors of viral replication, particularly Hepatitis C virus replication. The invention also provides pharmaceutical compositions containing one or more 4-amino-4-oxobutanoyl peptide compounds and one or more pharmaceutically acceptable carriers. Such pharmaceutical compositions may contain 4-amino-4-oxobutanoyl peptide compound as the only active agent or may contain a combination of 4-amino-4-oxobutanoyl peptide containing peptides compound and one or more other pharmaceutically active agents. The invention also provides methods for treating viral infections, including Hepatitis C infections, in mammals.

  该发明提供了Formula I的4-氨基-4-氧代丁酰肽化合物及其药用盐和水合物。变量R1-R9、R16、R18、R19、n、M和Z在此处定义。Formula I的某些化合物可用作抗病毒剂。本文披露的某些4-氨基-4-氧代丁酰肽化合物是有效和/或选择性抑制病毒复制的药物，特别是乙型肝炎病毒的复制。该发明还提供含有一种或多种4-氨基-4-氧代丁酰肽化合物和一种或多种药用载体的药物组合物。这种药物组合物可能仅含有4-氨基-4-氧代丁酰肽化合物作为唯一活性剂，也可能含有一种或多种其他药用活性剂与含有4-氨基-4-氧代丁酰肽的肽化合物的组合。该发明还提供了治疗哺乳动物病毒感染的方法，包括乙型肝炎感染。