5-(4-bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline | 7225-89-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5-(4-bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline
• CAS: 7225-89-0
• 化学式: C₂₂H₁₈BrN₃
• 分子量: 404.309
• InChiKey: IRZGUVJWJFEGKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对溴苯甲醛 、 5-(2-aminophenyl)-3-phenyl-4,5-dihydropyrazole 在 溶剂黄146 作用下， 反应 0.17h， 以92%的产率得到5-(4-bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline
  参考文献：
  名称：

  The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines

  摘要：

  The supramolecular structures of the title compounds, 2-phenyl-5-p-tolyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline, C23H21N3, (I), 5-(4-bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline, C22H18BrN3, (II), 2-(4chlorophenyl)-5-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]- quinazoline, C22H18ClN3, (III), and 5-(4-bromophenyl)-2-(4chlorophenyl)-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazo-line, C22H17BrClN3, (IV), are of two general types. Compounds (I), (II) and (III) form base-paired dimers via N-H...N hydrogen bonds, where (I) and (II) are isomorphous, while in (IV), there are no conventional hydrogen bonds.

  DOI：

  10.1107/s0108270102006200

文献信息

• The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines
  作者：John Nicolson Low、Justo Cobo、Manuel Nogueras、Adolfo Sánchez、Harlen Torres、Braulio Insuasty

  DOI：10.1107/s0108270102006200

  日期：2002.5.15

  The supramolecular structures of the title compounds, 2-phenyl-5-p-tolyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline, C23H21N3, (I), 5-(4-bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline, C22H18BrN3, (II), 2-(4chlorophenyl)-5-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]- quinazoline, C22H18ClN3, (III), and 5-(4-bromophenyl)-2-(4chlorophenyl)-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazo-line, C22H17BrClN3, (IV), are of two general types. Compounds (I), (II) and (III) form base-paired dimers via N-H...N hydrogen bonds, where (I) and (II) are isomorphous, while in (IV), there are no conventional hydrogen bonds.