3-bromo-N-tert-butylaniline | 40686-63-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-bromo-N-tert-butylaniline
• 英文别名: 3-bromo-N-tert-butylbenzenamine；m-Brom-N-t-butylanilin
• CAS: 40686-63-3
• 化学式: C₁₀H₁₄BrN
• 分子量: 228.132
• InChiKey: SXLVXDMILJFGLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,3-二溴苯 、 叔丁胺 在 tris-(dibenzylideneacetone)dipalladium(0) R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 23.0h， 以51%的产率得到3-bromo-N-tert-butylaniline
  参考文献：
  名称：

  Palladium-catalyzed monoamination of dihalogenated benzenes

  摘要：

  The palladium-catalyzed monoamination of symmetric dibromobenzenes can be performed using a catalyst based on Pd(2)dba(3) and BINAP in the presence of NaO(t-Bu). The analogous transformation of non-symmetric bromoiodobenzenes is most effectively performed with Xantphos as the ligand, while reactions with BINAP were non-selective. These transformations can be scaled uneventfully to >10 g quantities. They do not require drybox or Schlenk techniques, and all reagents are weighed out in air. The resulting monobromoanilines are versatile intermediates for further synthetic transformations. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.070

文献信息

• Transition Metal‐Free Synthesis of <i>meta</i> ‐Bromo‐ and <i>meta</i> ‐Trifluoromethylanilines from Cyclopentanones by a Cascade Reaction
  作者：Markus Staudt、Adnan Cetin、Lennart Bunch

  DOI：10.1002/chem.202102998

  日期：2022.2.19

  in biologically active compounds and often obtained from transition metal-catalyzed coupling of an aryl halide with an amine. In this work, we report a transition metal-free method for the synthesis of meta-bromo- and meta-trifluoromethylanilines starting from 3-tribromomethylcyclopentanone or 3-(2-bromo-2-chloro-1,1,1-trifluoroethyl)cyclopentanone, respectively. The scope of the transformation is shown

  苯胺是生物活性化合物中的关键成分，通常通过芳基卤化物与胺的过渡金属催化偶联获得。在这项工作中，我们报告了一种从 3-三溴甲基环戊酮或 3-(2-bromo-2-chloro-1,1,1-trifluoroethyl)cyclopentanone 开始合成间溴和间三氟甲基苯胺的无过渡金属方法， 分别。应用伯胺、仲胺和芳香胺表明了转化的范围。该反应以可接受的高产率 (20-81%) 进行，并允许合成具有取代模式的苯胺，否则难以获得。
• Arylindenopyridines and related therapeutic and prophylactic methods
  申请人：——

  公开号：US20040082578A1

  公开（公告）日：2004-04-29

  This invention provides novel arylindenopyridines of the formula: 1 and pharmaceutical compositions comprising same, useful for treating disorders ameliorated by antagonizing Adensine A2a receptors or reducing PDE activity in appropriate cells. This invention also provides therapeutic and prophylactic methods using the instant pharmaceutical compositions.

  本发明提供了新型的芳基茚莽啶化合物的公式1及其制成的药物组合物，用于治疗通过拮抗腺苷A2a受体或在适当的细胞中减少PDE活性而改善的疾病。本发明还提供了使用该药物组合物的治疗和预防方法。
• COMPOUNDS FOR TREATING PULMONARY HYPERTENSION
  申请人：Klein Martina

  公开号：US20100113452A1

  公开（公告）日：2010-05-06

  The present invention relates to pharmaceutical compositions and combinations for treating, preventing or managing pulmonary hypertension comprising small molecule heterocyclic pharmaceuticals, and more particularly, substituted pyridines and pyridazines optionally combined with at least one additional therapeutic agent.

  本发明涉及用于治疗、预防或管理肺动脉高压的制药组合物和组合物，包括小分子杂环类药物，特别是取代的吡啶和吡啶二氮杂环，可选地与至少一种其他治疗剂联合使用。
• SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY
  申请人：Dumas Jacques P.

  公开号：US20110263597A1

  公开（公告）日：2011-10-27

  Methods of treating a mammal having a condition characterized by abnormal angiogenesis or hyperpermiability processes using substituted pyridazines having angiogenesis inhibiting activity and the generalized structural formula wherein the ring containing A, B, D, E, and L is phenyl or a nitrogen-containing heterocycle; groups X and Y may be any of a variety of defined linking units; R 1 and R 2 may be defined independent substituents or together may be a ring-defining bridge; ring J may be an aryl, pyridyl, or cycloalkyl group; and G groups may be any of a variety of defined substituents.

  使用具有抑制血管生成活性的取代吡啶并噻唑化合物治疗具有异常血管生成或高通透性过程特征的哺乳动物的方法，其具有广义结构公式，其中包含A、B、D、E和L的环为苯或含氮杂环；X和Y基团可以是各种定义的连接单元之一；R1和R2可以是独立定义的取代基，也可以一起定义环的定义桥；环J可以是芳基、吡啶基或环烷基；G基团可以是任何定义的取代基。
• METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS
  申请人：Indiana University Research and Technology Corporation

  公开号：US20180071252A1

  公开（公告）日：2018-03-15

  Methods are disclosed herein for administering a oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitor for treating autoimmune and/or glomerulonephritis-associated diseases, and in particular, Systemic Lupus Erythematosus (SLE).