4-bromo-N-ethyl-2-methylaniline | 81090-36-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-bromo-N-ethyl-2-methylaniline
• 英文别名: N-ethyl-4-bromo-2-methyl-aniline；N-Aethyl-4-brom-2-methyl-anilin；N-ethyl-4-bromo-2-methylaniline
• CAS: 81090-36-0
• 化学式: C₉H₁₂BrN
• mdl: MFCD11142077
• 分子量: 214.105
• InChiKey: KRIQRELQURYEPJ-UHFFFAOYSA-N

物化性质

• 沸点：
  275.2±28.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  硝基脲 、 4-bromo-N-ethyl-2-methylaniline 生成 N-ethyl-N-(4-bromo-2-methyl-phenyl)-urea
  参考文献：
  名称：

  New Compounds. Some Aryl and Aralkyl Ureas

  摘要：

  DOI：

  10.1021/ja01230a047
• 作为产物：
  描述：

  N,N-二乙基-邻甲基苯胺 在 sodium acetate 、 溴 作用下， 以 溶剂黄146 为溶剂， 反应 0.08h， 生成 4-bromo-N-ethyl-2-methylaniline
  参考文献：
  名称：

  pH控制光物理和光化学性质的发红染料

  摘要：

  通过使用统计缩合方法制备了带有一个取代的苯胺作为外围取代基的新的不对称锌氮杂酞菁锌。荧光和单线态氧量子产率极低的DMF（Φ ˚F <0.01，Φ Δ分别<0.02），但是在加入硫酸后增加，达到与对照相当值而不苯胺取代基（Φ ˚F = 0.22-0.29 ，Φ Δ分别为= 0.40-0.59）。这种行为归因于从供体位点（苯胺）的分子内电荷转移引起的激发态的失活，该分子在酸性介质中质子化后被阻断。在质子化形式中，所有的化合物的有效发射的光与λ EM中的662-675纳米的区域内。所研究的化合物锚定到二油酰基磷脂酰胆碱（DOPC）单层囊泡上，并显示出对缓冲液pH的响应。它们在低pH值下具有高荧光性，在中性溶液中几乎不呈荧光。在DOPC囊泡中确定p K a值，其范围在2.2至4.2之间。

  DOI：

  10.1002/chem.201101123

文献信息

• GDF-8 INHIBITORS
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：EP2903978B1

  公开（公告）日：2022-12-07
• 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication
  申请人：Bonfanti Jean-Francois

  公开号：US20070093502A1

  公开（公告）日：2007-04-26

  The present invention concerns 5- or 6-substituted-benzimidazole derivatives having inhibitory activity on the replication of the respiratory syncytial virus and having the formula a prodrug, N-oxide, addition salt, quaternary amine, metal complex or stereochemically isomeric form thereof wherein Q is Ar 2 , R 6 , pyrrolidinyl substituted with R 6 , piperidinyl substituted with R 6 or homopiperidinyl substituted with R 6 , G is a direct bond or optionally substituted C 1-10 -alkanediyl; R 1 is Ar 1 or a monocyclic or bicyclic heterocycle; one of R 2a and R 2b is cyanoC 1-6 alkyl, cyanoC 2-6 alkenyl, Ar 3 C 1-6 alkyl, Het-C 1-6 alkyl, N(R 8a R 8b )C 1-6 alkyl, Ar 3 C 2-6 alkenyl, Het-C 2-6 alkenyl, Ar 3 aminoC 1-6 alkyl, Het-aminoC 1-6 alkyl, Ar 3 thioC 1-6 alkyl, Het-thioC 1-6 alkyl, Ar 3 sulfonylC 1-6 alkyl, Het-sulfonylC 1-6 alkyl, Ar 3 aminocarbonyl, Het-aminocarbonyl, Ar 3 (CH 2 ) n aminocarbonyl, Het-(CH 2 ) n aminocarbonyl, Ar 3 carbonylamino, Het-carbonylamino, Ar 3 (CH 2 ) n carbonylamino, Het-(CH 2 ) n carbonylamino, and the other one of R 2a and R 2b is hydrogen; in case R 2a is hydrogen, then R 3 is hydrogen; in case R 2b is hydrogen, the R 3 is hydrogen or C 1-6 alkyl. It further concerns their preparation and compositions comprising them, as well as their use as a medicine.
• 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION
  申请人：Bonfanti Jean-Francois

  公开号：US20090062278A1

  公开（公告）日：2009-03-05

  The present invention concerns 5- or 6-substituted-benzimidazole derivatives having inhibitory activity on the replication of the respiratory syncytial virus and having the formula a prodrug, N-oxide, addition salt, quaternary amine, metal complex or stereochemically isomeric form thereof wherein Q is Ar 2 , R 6 , pyrrolidinyl substituted with R 6 , piperidinyl substituted with R 6 or homopiperidinyl substituted with R 6 , G is a direct bond or optionally substituted C 1-10 alkanediyl; R 1 is Ar 1 or a monocyclic or bicyclic heterocycle; one of R 2a and R 2b is cyanoC 1-6 alkyl, cyanoC 2-6 alkenyl, Ar 3 C 1-6 alkyl, Het 1 C 1-6 alkyl, N(R 8a R 8b )C 1-6 alkyl, Ar 3 C 2-6 alkenyl, Het 1 C 2-6 alkenyl, Ar 3 aminoC 1-6 alkyl, Het 1 aminoC 1-6 alkyl, Ar 3 thioC 1-6 alkyl, Het 1 thioC 1-6 alkyl, Ar 3 sulfonylC 1-6 alkyl, Het 1 sulfonylC 1-6 alkyl, Ar 3 aminocarbonyl, Het 1 aminocarbonyl, Ar 3 (CH 2 ) n aminocarbonyl, Het 1 (CH 2 ) n aminocarbonyl, Ar 3 carbonylamino, Het 1 carbonylamino, Ar 3 (CH 2 ) n carbonylamino, Het 1 (CH 2 ) n carbonylamino, and the other one of R 2a and R 2b is hydrogen; in case R 2a is hydrogen, then R 3 is hydrogen; in case R 2b is hydrogen, the R 3 is hydrogen or C 1-6 alkyl. It further concerns their preparation and compositions comprising them, as well as their use as a medicine.
• US4925984A
  申请人：——

  公开号：US4925984A

  公开（公告）日：1990-05-15
• US8278455B2
  申请人：——

  公开号：US8278455B2

  公开（公告）日：2012-10-02