1-丁基-3-吡啶-3-基脲 | 60572-67-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-丁基-3-吡啶-3-基脲
• 英文名称: N-butyl-N'-(pyridin-3-yl)urea
• 英文别名: 1-butyl-3-pyridin-3-yl-urea；N-Butyl-N'-pyridin-3-ylurea；1-butyl-3-pyridin-3-ylurea
• CAS: 60572-67-0
• 化学式: C₁₀H₁₅N₃O
• mdl: MFCD06088616
• 分子量: 193.249
• InChiKey: FTSUPWZVICMCHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  3-氨基吡啶 在 1-甲基吡咯烷 、 N-甲基吗啉 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 1-丁基-3-吡啶-3-基脲
  参考文献：
  名称：

  Practical Synthesis of Unsymmetrical Ureas from Isopropenyl Carbamates

  摘要：

  [GRAPHICS]A very convenient method for the synthesis of unsymmetrical ureas is described, based on isopropenyl carbamates. The synthetic efficiency of traditional methods for urea formation, such as use of phosgene or alkyl and aryl carbamates, is limited by the formation of symmetrical urea side products or reaction reversibility. Isopropenyl carbamates react with amines cleanly and irreversibly and give unsymmetrical ureas in high yield and purity. This method is ideal for the rapid synthesis of compound libraries.

  DOI：

  10.1021/jo0507643

文献信息

• Naphthalene linked pyridyl urea as a supramolecular gelator: a new insight into naked eye detection of I⁻in the gel state with semiconducting behaviour
  作者：Kumaresh Ghosh、Santanu Panja、Subratanu Bhattacharya

  DOI：10.1039/c5ra11721f

  日期：——

  The gelation and anion responsive behavior of some 3-aminopyridinium-based molecules1–5have been examined. Compound2shows naked eye detection of I⁻in the gel state.

  一些基于3-氨基吡啶的分子（1-5）的凝胶化和阴离子响应行为已经被研究。化合物2在凝胶状态下可以肉眼检测到I-。
• Substituted Imidazopyridazines as Lipid Kinase Inhibitors
  申请人：Capraro Hans-Georg

  公开号：US20100305113A1

  公开（公告）日：2010-12-02

  The invention relates to novel compounds of the formula I, as well as other invention embodiments related to these compounds. The compounds are e.g. useful in the treatment of the animal or human body in view of their ability to inhibit protein kinases such as especially PI3 kinase.

  本发明涉及公式I的新化合物，以及与这些化合物相关的其他发明实施方式。这些化合物可用于治疗动物或人体，因为它们能够抑制蛋白激酶，特别是PI3激酶。
• [EN] SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS<br/>[FR] IMIDAZOPYRIDAZINES SUBSTITUÉES EN TANT QU'INHIBITEURS DE LA LIPIDE KINASE PI3K
  申请人：NOVARTIS AG

  公开号：WO2008138834A1

  公开（公告）日：2008-11-20

  [EN] The invention relates to novel compounds of formula (I), as well as other invention embodiments related to these compounds. The compounds are e.g. useful in the treatment of the animal or human body in view of their ability to inhibit protein kinases such as especially PI3 kinase.
  [FR] L'invention porte sur de nouveaux composés de la formule (1), ainsi que sur d'autres modes de réalisation de l'invention se rapportant à ces composés. Les composés s'utilisent par exemple dans le traitement du corps animal ou humain compte tenu de leur aptitude à inhiber les protéines kinases telles que, notamment, la kinase PI3.