3-(4,4-二甲基-4,5-二氢-1,3-恶唑-2-基)苯胺 | 913731-10-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4,4-二甲基-4,5-二氢-1,3-恶唑-2-基)苯胺
• 英文名称: 3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-phenylamine
• 英文别名: 3-(4,5-Dihydro-4,4-dimethyloxazol-2-YL)benzenamine；3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
• CAS: 913731-10-9
• 化学式: C₁₁H₁₄N₂O
• mdl: MFCD09909379
• 分子量: 190.245
• InChiKey: JCGLDNHHZQFINP-UHFFFAOYSA-N

物化性质

• 沸点：
  340.3±25.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-(4,4-二甲基-4,5-二氢-1,3-恶唑-2-基)苯胺 、 7-氯-4-碘喹啉 在 1,1'-双(二苯基膦)二茂铁 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium tert-butylate 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以45%的产率得到7-chloro-N-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]quinolin-4-amine
  参考文献：
  名称：

  Synthesis and biological activities of 4-N-(anilinyl-n-[oxazolyl])-7-chloroquinolines (n=3′ or 4′) against Plasmodium falciparum in in vitro models

  摘要：

  The synthesis (Pd-mediated coupling strategy) and characterization (NMR, IR, elemental analysis, etc.) of a short series of quinoline-oxazole hybrid compounds has been carried out. These materials are found to be moderately active against Plasmodium falciparum in vitro, with activities in the sub-micromolar range, and to display acceptable cytotoxicity to mononuclear leukocytes. Chemical modification strategies, with the intention to increase the biological potency of this new class of anti-malarial agents, are discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.131
• 作为产物：
  描述：

  4,4-二甲基-2-(3-硝基苯基)-4,5-二氢-1,3-恶唑 在 palladium 10% on activated carbon 、 甲酸铵 作用下， 以 乙醇 为溶剂， 生成 3-(4,4-二甲基-4,5-二氢-1,3-恶唑-2-基)苯胺
  参考文献：
  名称：

  Synthesis and biological activities of 4-N-(anilinyl-n-[oxazolyl])-7-chloroquinolines (n=3′ or 4′) against Plasmodium falciparum in in vitro models

  摘要：

  The synthesis (Pd-mediated coupling strategy) and characterization (NMR, IR, elemental analysis, etc.) of a short series of quinoline-oxazole hybrid compounds has been carried out. These materials are found to be moderately active against Plasmodium falciparum in vitro, with activities in the sub-micromolar range, and to display acceptable cytotoxicity to mononuclear leukocytes. Chemical modification strategies, with the intention to increase the biological potency of this new class of anti-malarial agents, are discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.131

文献信息

• The novel reaction of ketones with o-oxazoline-substituted anilines
  作者：Fen-Tair Luo、Vija K. Ravi、Cuihua Xue

  DOI：10.1016/j.tet.2006.07.057

  日期：2006.10

  A variety of ketones react with o-oxazoline-substituted anilines in the presence of catalytic amount of p-toluenesulfonic acid in dry n-butanol to form 4-amino-substituted quinolines or 4-quinolones in fair to good yields.

  在干燥的正丁醇中催化量的对甲苯磺酸存在下，各种酮类与邻恶唑啉取代的苯胺反应，以相当高的收率形成4-氨基取代的喹啉或4-喹诺酮。