N-(4-chlorophenyl)-N′-(4-pyridinyl)urea | 13208-60-1

• 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-(4-chlorophenyl)-N′-(4-pyridinyl)urea
• 英文别名: N-(4-pyridyl)-N'-(4-chlorophenyl)urea；1-(4-chloro-phenyl)-3-pyridin-4-yl-urea；N-(4-Chlor-phenyl)-N'-(4-pyridyl)-harnstoff；1-(4-Chlorophenyl)-3-(pyridin-4-yl)urea；1-(4-chlorophenyl)-3-pyridin-4-ylurea
• CAS: 13208-60-1
• 化学式: C₁₂H₁₀ClN₃O
• mdl: MFCD00579616
• 分子量: 247.684
• InChiKey: AAVUKLGYVIGYKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  308.4±22.0 °C(Predicted)
• 密度：
  1.415±0.06 g/cm3(Predicted)
• 溶解度：
  9.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 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：

  对氯苯异氰酸酯 以94%的产率得到
  参考文献：
  名称：

  VASILEV, GEORGI NIKOLOV;JONOVA, PETRANKA ANGELOVA

  摘要：

  DOI：

文献信息

• Substituent effect of <i>N</i> -aryl-<i>N</i> ′-pyridyl ureas as thermal latent initiators on ring-opening polymerization of epoxide
  作者：Naoyuki Makiuchi、Atsushi Sudo、Takeshi Endo

  DOI：10.1002/pola.27726

  日期：2015.11.15

  series of N‐aryl‐N′‐pyridyl ureas were synthesized by the reactions of 4‐aminopyridine (4AP) with the corresponding isocyanates such as phenyl isocyanate, 4‐methylphenyl isocyanate, 4‐methoxyphenyl isocyanate, 4‐chlorophenyl isocyanate, 4‐(trifluoromethyl)phenyl isocyanate, and 4‐nitrophenyl isocyanate. Bulk polymerization of diglycidyl ether of bisphenol A (DGEBA) in the presence of the ureas as initiators

  一系列ñ -芳基- ñ “ -吡啶基脲由4-氨基吡啶（4AP）的与相应的异氰酸酯的反应，如异氰酸苯酯，4-甲基苯基异氰酸酯，4-甲氧基苯基异氰酸酯，4合成-氯苯基异氰酸酯，4 - （三氟甲基）苯基异氰酸酯和4-硝基苯基异氰酸酯。通过差示扫描量热法（DSC）以10℃/ min的加热速率评价在作为引发剂的脲存在下的双酚A的二缩水甘油醚（DGEBA）的本体聚合。所得的DSC谱图表明高于140°C的放热峰，而由DGEBA和原始4AP组成的制剂测得的DSC谱图表明在120°C附近有放热峰，这表明将4AP衍生为相应的尿素是一种有用的策略达到热潜伏期。最高峰温度与脲类芳香环的电子密度相关，也就是说，随着芳香环上取代基的吸电子性质变大，峰会增加。©2015 Wiley Periodicals，Inc. J. Polym。科学，A部分：Polym。2015年，53，2569年至2574年
• 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。
• N-Phenyl-N'-pyridinylureas as anticonvulsant agents
  作者：Michael R. Pavia、Sandra J. Lobbestael、Charles P. Taylor、Fred M. Hershenson、David L. Miskell

  DOI：10.1021/jm00164a061

  日期：1990.2

  A series of N-phenyl-N'-pyridinylureas was examined for anticonvulsant activity. Extensive structure/activity investigations revealed optimal activity in the N-(2,6-disubstituted-phenyl)-N'-(4-pyridinyl)urea series, with 37 exhibiting the best overall anticonvulsant profile. Compound 37 was effective against seizures induced by maximal electroshock but did not protect mice from clonic seizures produced by the convulsant pentylenetetrazol. The overall pharmacological profile suggests that 37 would be of therapeutic use in the treatment of generalized tonic-clonic and partial seizures. Compound 37 was selected for Phase 1 clinical trials.
• Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling
  申请人：Tao Chunlin

  公开号：US20120270858A1

  公开（公告）日：2012-10-25

  The invention provides isoquinoline, quinoline, and quinazoline derivatives to treat a variety of disorders, diseases and pathologic conditions, and more specifically to the use of isoquinoline, quinoline, and quinazoline derivatives to inhibit the hedgehog signaling pathway and to the use of those compounds to the treatment of hyperproliferative diseases and pathologic angiogenesis.