4-p-Tolyloxy-pyridin | 4783-59-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-p-Tolyloxy-pyridin
• 英文别名: 4-(4-Methylphenoxy)-pyridin；4-p-tolyloxy-pyridine；4-[4-methylphenoxy]pyridine；4-(4-Methylphenoxy)pyridine
• CAS: 4783-59-9
• 化学式: C₁₂H₁₁NO
• 分子量: 185.225
• InChiKey: SOHVMBQOQNOYCV-UHFFFAOYSA-N

物化性质

• 熔点：
  100 °C
• 沸点：
  100 °C(Press: 0.03 Torr)
• 密度：
  1.092±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-p-Tolyloxy-pyridin 在 palladium on activated charcoal 氢氧化钾 、 sodium tetrahydroborate 、 TEA 、 氢气 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 甲醇 、 乙醚 、 乙醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 2-Oxo-N-(2-oxo-2,3-dihydro-benzothiazol-6-yl)-2-(4-p-tolyloxy-piperidin-1-yl)-acetamide
  参考文献：
  名称：

  Oxamides as novel NR2B selective NMDA receptor antagonists

  摘要：

  A novel series of oxamides derived from indole-2-carboxamides was identified as potent NR2B selective NMDA receptor antagonists. Several members of this group showed good analgesic activity in the mouse formalin test. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.053
• 作为产物：
  描述：

  4-氯吡啶 、 对甲酚 在 1-(4-吡啶基)吡啶氯盐酸盐 作用下， 反应 6.0h， 生成 4-p-Tolyloxy-pyridin
  参考文献：
  名称：

  Oxamides as novel NR2B selective NMDA receptor antagonists

  摘要：

  A novel series of oxamides derived from indole-2-carboxamides was identified as potent NR2B selective NMDA receptor antagonists. Several members of this group showed good analgesic activity in the mouse formalin test. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.053

文献信息

• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON
  申请人：BIOCAD JOINT STOCK CO

  公开号：WO2018092047A1

  公开（公告）日：2018-05-24

  The present invention relates to a new compound of formula I: or pharmaceutically acceptable salt, solvate or stereoisomer thereof, wherein: V1 is C or N, V2 is C(R2) or N, whereby if V1 is C then V2 is N, if V1 is C then V2 is C(R2), or if V1 is N then V2 is C(R2); each n, k is independently 0, 1; each R2, R11 is independently H, D, Hal, CN, NR'R", C(O)NR'R", C1-C6 alkoxy; R3 is H, D, hydroxy, C(O)C1-C6 alkyl, C(O)C2-C6 alkenyl, C(O)C2-C6 alkynyl, C1-C6 alkyl; R4 is H, Hal, CN, CONR'R", hydroxy, C1-C6 alkyl, C1-C6 alkoxy; L is CH2, NH, O or chemical bond; R1 is selected from the group of the fragments, comprising: Fragment 1, Fragment 2, Fragment 3 each A1, A2, A3, A4 is independently CH, N, CHal; each A5, A6, A7, A8, A9 is independently C, CH or N; R5 is H, CN, Hal, CONR'R", C1-C6 alkyl, non-substituted or substituted by one or more halogens; each R' and R" is independently selected from the group, comprising H, C1-C6 alkyl, C1-C6 cycloalkyl, aryl; R6 is selected from the group: [formula II] each R7, R8, R9, R10 is independently vinyl, methylacetylenyl; Hal is CI, Br, I, F, which have properties of inhibitor of Bruton's tyrosine kinase (Btk), to pharmaceutical compositions containing such compounds, and their use as pharmaceuticals for treatment of diseases and disorder.

  本发明涉及一种新的化合物，其化学式为I：或其药学上可接受的盐、溶剂化合物或立体异构体，其中：V1为C或N，V2为C(R2)或N，如果V1为C，则V2为N，如果V1为C，则V2为C(R2)，或者如果V1为N，则V2为C(R2)；每个n，k独立地为0或1；每个R2，R11独立地为H，D，Hal，CN，NR'R"，C(O)NR'R"，C1-C6烷氧基；R3为H，D，羟基，C(O)C1-C6烷基，C(O)C2-C6烯基，C(O)C2-C6炔基，C1-C6烷基；R4为H，Hal，CN，CONR'R"，羟基，C1-C6烷基，C1-C6烷氧基；L为CH2，NH，O或化学键；R1从包括的片段组中选择：片段1，片段2，片段3，每个A1，A2，A3，A4独立地为CH，N，CHal；每个A5，A6，A7，A8，A9独立地为C，CH或N；R5为H，CN，Hal，CONR'R"，C1-C6烷基，未取代或被一个或多个卤素取代；每个R'和R"独立地从包括H，C1-C6烷基，C1-C6环烷基，芳基的组中选择；R6从组中选择：[化学式II]每个R7，R8，R9，R10独立地为乙烯基，甲基乙炔基；Hal为CI，Br，I，F，具有布鲁顿酪氨酸激酶（Btk）抑制剂的性质，以及含有这种化合物的药物组合物，以及它们作为治疗疾病和紊乱的药物的用途。
• INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS
  申请人：Dumas Jacques

  公开号：US20120046290A1

  公开（公告）日：2012-02-23

  This invention relates to the use of a group of aryl ureas in treating cytokine mediated diseases, other than cancer and proteolytic enzyme mediated diseases, other than cancer, and pharmaceutical compositions for use in such therapy.

  本发明涉及一组芳香脲在治疗细胞因子介导的疾病（除癌症外）和蛋白水解酶介导的疾病（除癌症外）中的用途，以及用于此类治疗的药物组合物。
• Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas
  申请人：Miller Scott

  公开号：US20080269265A1

  公开（公告）日：2008-10-30

  This invention relates to the use of a group of aryl ureas in treating raf mediated diseases, and pharmaceutical compositions for use in such therapy.

  这项发明涉及使用一组芳基脲类化合物治疗raf介导的疾病，以及用于该疗法的药物组合物。
• INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS
  申请人：Dumas Jacques

  公开号：US20070244120A1

  公开（公告）日：2007-10-18

  Methods of treating tumors mediated by raf kinase, with substituted urea compounds, and such compounds per se.

  治疗由raf激酶介导的肿瘤的方法，包括使用取代脲化合物，以及这些化合物本身。
• Effect of microwave heating on Ullmann-type heterocycle-aryl ether synthesis using chloro-heterocycles
  作者：Noel D. D’Angelo、Joseph J. Peterson、Shon K. Booker、Ingrid Fellows、Celia Dominguez、Randall Hungate、Paul J. Reider、Tae-Seong Kim

  DOI：10.1016/j.tetlet.2006.05.103

  日期：2006.7

  Ullmann ether synthesis was conducted on a variety of chloro-heterocycles with different phenols using optimized conditions involving copper powder and cesium carbonate. On many substrates, microwave heating afforded higher yields in significantly shorter reaction times compared to conventional heating conditions. These findings provide a facile method for aryl ether synthesis from chloropyridines

  使用涉及铜粉和碳酸铯的优化条件，在具有不同酚的各种氯杂环化合物上进行乌尔曼醚合成。与常规加热条件相比，在许多基材上，微波加热以明显更短的反应时间提供了更高的产率。这些发现为从氯吡啶，氯喹啉和氯苯并噻唑合成芳基醚提供了一种简便的方法。