1,3-bis(6-methyl-pyridin-2-yl)-urea | 92023-87-5

• 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
• 英文名称: 1,3-bis(6-methyl-pyridin-2-yl)-urea
• 英文别名: N,N'-bis(6-methylpyrid-2-yl)urea；N,N'-bis-(6-methyl-[2]pyridyl)-urea；N,N'-bis(2-picolin-6-yl)urea；N,N'-Bis-(6-methyl-[2]pyridyl)-harnstoff；1,3-bis-(6-methyl-pyridin-2-yl)-urea；1,3-Bis(6-methylpyridin-2-yl)urea
• CAS: 92023-87-5
• 化学式: C₁₃H₁₄N₄O
• mdl: MFCD00441444
• 分子量: 242.28
• InChiKey: YVORCDPOPJSRJC-UHFFFAOYSA-N

物化性质

• 熔点：
  194 °C
• 沸点：
  311.4±42.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-bis(6-methyl-pyridin-2-yl)-urea 、 苯肼 在 吡啶 作用下， 生成 4-(6-methyl-[2]pyridyl)-1-phenyl semicarbazide
  参考文献：
  名称：

  Clemo et al., Journal of the Chemical Society, 1954, p. 2693,2697

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-6-甲基吡啶 在 乙醚 、 sodium amide 作用下， 生成 1,3-bis(6-methyl-pyridin-2-yl)-urea
  参考文献：
  名称：

  Clemo et al., Journal of the Chemical Society, 1954, p. 2693,2697

  摘要：

  DOI：

文献信息

• PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS
  申请人：Inoue Hiroki

  公开号：US20130005981A1

  公开（公告）日：2013-01-03

  Provided is a process for the preparation of t-butoxycarbonylamine compounds, which comprises using phosgene or a phosgene equivalent, t-butanol, and an organic base. Even when applied to a primary or secondary amine compound having low nucleophilicity, the process enables highly selective preparation of a t-butoxycarbonylamine compound at a low cost. In the process, a t-butoxycarbonylamine compound is prepared using: phosgene or a phosgene equivalent; t-butanol; an organic base; and either a primary or secondary amine compound or a primary or secondary ammonium salt.

  提供了一种制备叔丁氧羰胺化合物的方法，包括使用光气或光气等效物、叔丁醇和有机碱。即使应用于具有低亲核性的初级或次级胺化合物，该方法也能以较低成本实现对叔丁氧羰胺化合物的高选择性制备。在该过程中，使用光气或光气等效物、叔丁醇、有机碱以及初级或次级胺化合物或初级或次级铵盐来制备叔丁氧羰胺化合物。
• Recognition of a dicarboxylic acid with dipicolyl urea in solution and in solid phases: intramolecular hydrogen bond inhibiting both pyridine nitrogens from binding carboxyl groups
  作者：Shyamaprosad Goswami、Subrata Jana、Swapan Dey、Debabrata Sen、Hoong-Kun Fun、Suchada Chantrapromma

  DOI：10.1016/j.tet.2008.04.066

  日期：2008.6

  Recognition of a dicarboxylic acid in solution as well as in the solid phase by the pyridyl urea based pseudoditopic receptor 1 has been studied. The X-ray structures of both the receptor and its complex with 1,4-phenylenediacetic acid are also presented. Intramolecular hydrogen bonding inhibits both the pyridine ring nitrogens from forming hydrogen bonds with the carboxyl group and force the receptor

  已经研究了通过吡啶基脲基假二位受体1识别溶液中以及固相中的二羧酸。还介绍了受体及其与1,4-苯二乙酸的复合物的X射线结构。分子内氢键抑制吡啶环上的两个氮原子都与羧基形成氢键，并迫使受体以单位方式起作用，使用顺式尿素酰胺部分结合二羧酸的羧基以形成2：1配合物。还比较了受体1与一元羧酸的结合。
• A PRACTICAL SYNTHESIS OF UREAS FROM 2-AMINOPICOLINES USING MICROWAVE IRRADIATION
  作者：J. E. Charris、J. N. Dominguez、S. E. Lopez

  DOI：10.1515/hc.2001.7.3.233

  日期：2001.1
• Synthesis and characterization of a tetraruthenium butterfly cluster containing a quadruply-bridging ligand derived from an N,N′-dipyrid-2-ylurea
  作者：Javier A. Cabeza、Ignacio del Río、Lorena Martínez-Méndez、Daniel Miguel

  DOI：10.1016/j.jorganchem.2007.06.060

  日期：2007.9

  The tetraruthenium cluster complex [Ru-4(mu(4)-kappa(4)-dmpu)(CO)(10)], H(2)dmpu = N,N'-bis(6-methylpyrid-2-yl)urea, has been prepared by treating [Ru-3(CO)(12)] with H(2)dmpu in toluene at reflux temperature. An X-ray diffraction study has determined that this cluster has a butterfly metallic skeleton hold up by a doubly-deprotonated N,N'-bis(6-methylpyrid-2-yl)urea ligand (dmpu). This ligand has the pyridine N atoms attached to the wing-tip Ru atoms and the amido N atoms spanning Ru-Ru wing-edges, in such a way that the cluster has C-2 symmetry. The donor atoms of doubly-deprotonated N,N'-dipyrid-2-ylureas seem to be appropriately arranged to hold butterfly tetranuclear clusters. (c) 2007 Elsevier B.V. All rights reserved.
• US8653269B2
  申请人：——

  公开号：US8653269B2

  公开（公告）日：2014-02-18