N-(3-chlorophenyl)-N′-(4-pyridinyl)urea | 13208-37-2

• 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: N-(3-chlorophenyl)-N′-(4-pyridinyl)urea
• 英文别名: 1-(3-chloro-phenyl)-3-pyridin-4-yl-urea；N-(3-Chlor-phenyl)-N'-(4-pyridyl)-harnstoff；N-(4-Pyridyl)-N'-(m-chlor-phenyl)-harnstoff；1-(3-Chlorophenyl)-3-pyridin-4-ylurea
• CAS: 13208-37-2
• 化学式: C₁₂H₁₀ClN₃O
• 分子量: 247.684
• InChiKey: QGFXRTDUZHCUGA-UHFFFAOYSA-N

物化性质

• 沸点：
  306.9±22.0 °C(Predicted)
• 密度：
  1.415±0.06 g/cm3(Predicted)
• 溶解度：
  35.9 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  间氯苯异氰酸酯 生成 N-(3-chlorophenyl)-N′-(4-pyridinyl)urea
  参考文献：
  名称：

  JONOVA, PETRANKA ANGELOVA;VASILEV, GEORGI NIKOLOV

  摘要：

  DOI：

文献信息

• Phosgene-free synthesis of N-aryl-N'-4-pyridinylureas via selenium-catalyzed oxidative carbonylation of 4-aminopyridine with aromatic amines
  作者：Xiaopeng Zhang、Zhengwei Li、Yan Wang、Shuxiang Dong、Xueli Niu、Guisheng Zhang

  DOI：10.3998/ark.5550190.p009.683

  日期：——

  atom economy has been developed for the synthesis of N-aryl-N′-(4-pyridinyl)ureas. With cheap selenium as the catalyst, carbon monoxide (instead of phosgene) as the carbonyl reagent, N-aryl-N′-(4-pyridinyl)ureas can be obtained in a one-pot manner mostly in moderate to good yields via oxidative cross-carbonylation of 4-aminopyridine with a variety of aromatic amines in the presence of oxygen under atmospheric

  已开发出一种简便、无光气且具有高原子经济性的方法来合成 N-芳基-N'-(4-吡啶基)脲。以廉价的硒为催化剂，以一氧化碳（而不是光气）为羰基试剂，可以通过氧化交叉以一锅法获得N-芳基-N'-（4-吡啶基）脲，大部分收率中等至良好- 4-氨基吡啶与多种芳香胺在氧气存在下在大气压下羰基化。还提出了合成N-芳基-N'-(4-吡啶基)脲的机理。
• Evaluation of Diarylureas for Activity Against <i>Plasmodium falciparum</i>
  作者：Yiqun Zhang、Marc Anderson、Jennifer L. Weisman、Min Lu、Cindy J. Choy、Vincent A. Boyd、Jeanine Price、Martina Sigal、Julie Clark、Michele Connelly、Fangyi Zhu、W. Armand Guiguemde、Cynthia Jeffries、Lei Yang、Andrew Lemoff、Ally P. Liou、Thomas R. Webb、Joseph L. DeRisi、R. Kiplin Guy

  DOI：10.1021/ml100083c

  日期：2010.12.9

  A library of diarylurea insulin-like growth factor 1 receptor inhibitors was screened for activity against chloroquine-sensitive (3D7) and chloroquine-resistant (K1) strains of Plasmodium falciparum. The 4-aminoquinaldine-derived diarylureas displayed promising antimalarial potency. Further exploration of the B ring of 4-aminoquinaldinyl ureas allowed identification of several quinaldin-4-yl ureas 413, 39} and 413, 58) sufficiently potent against both 3D7 and K1 strains to qualify as bone fide leads.