2-Benzamido-perimidin | 66336-15-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类 - 二氮杂萘
• 英文名称: 2-Benzamido-perimidin
• 英文别名: N-(1H-perimidin-2-yl)benzamide
• CAS: 66336-15-0
• 化学式: C₁₈H₁₃N₃O
• mdl: MFCD05843790
• 分子量: 287.321
• InChiKey: PJKBIJNPOJPHAR-UHFFFAOYSA-N

物化性质

• 熔点：
  264 °C(Solv: 1,4-dioxane (123-91-1))
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-氰基苯甲酰胺 、 1,8-二氨基萘 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以37%的产率得到2-Benzamido-perimidin
  参考文献：
  名称：

  Reaction of cyanamides with N,N-binucleophiles

  摘要：

  Reactions of 4,6-dimethylpyrimidin-2-yl- and aroylcyanamides with benzene-1,2-diamine, ethylenediamine, cyclohexane-1,2-diamine, and naphthalene-1,8-diamine leads to 1H-benzimidazol-2-amine, imidazolidin-2-imine, perhydrobenzimidazol-2-imine, and 1H-perimidin-2-amine derivatives, respectively.

  DOI：

  10.1134/s1070363206100252

文献信息

• Recognition of anions and monocarboxylic acids by a fluorescent guanidine-based receptor
  作者：Shyamaprosad Goswami、Subrata Jana、Rinku Chakrabarty、Hoong-Kun Fun

  DOI：10.1080/10610270902980614

  日期：2010.3.1

  A guanidine-based fluorescent receptor has been synthesised to study its binding behaviour towards anions (F-, Cl-, Br-, I-and AcO-). The two donor NZH bonds of the receptor do not point in the same direction; rather, one N-H bond is intramolecularly hydrogen-bonded with the carbonyl oxygen atom. The nature of the donor-acceptor (DA) arrangement induces moderate binding properties. The binding behaviour towards monocarboxylic acids (benzoic acid and phenylacetic acid) is also compared. The binding behaviour of receptor 1 towards the F- anion is higher among the anions studied, whereas in the case of monocarboxylic acid, the binding constant with phenylacetic acid is higher than benzoic acid.
• Reaction of cyanamides with N,N-binucleophiles
  作者：A. S. Shestakov、N. V. Gusakova、Kh. S. Shikhaliev、A. V. Zagoruiko

  DOI：10.1134/s1070363206100252

  日期：2006.10

  Reactions of 4,6-dimethylpyrimidin-2-yl- and aroylcyanamides with benzene-1,2-diamine, ethylenediamine, cyclohexane-1,2-diamine, and naphthalene-1,8-diamine leads to 1H-benzimidazol-2-amine, imidazolidin-2-imine, perhydrobenzimidazol-2-imine, and 1H-perimidin-2-amine derivatives, respectively.