1-(3-甲基苯基)高哌嗪单盐酸盐 | 934991-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(3-甲基苯基)高哌嗪单盐酸盐
• 英文名称: 1-(3-methylphenyl)-1,4-diazepane hydrochloride
• 英文别名: 1-(m-Tolyl)-1,4-diazepane hydrochloride；1-(3-methylphenyl)-1,4-diazepane;hydrochloride
• CAS: 934991-97-6
• 化学式: C₁₂H₁₈N₂*ClH
• 分子量: 226.749
• InChiKey: VILFPEXOQKMNHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.22
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  15.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  tert-butyl 4-(m-tolyl)-1,4-diazepane-1-carboxylate 在 盐酸 作用下， 以 甲醇 为溶剂， 以100%的产率得到1-(3-甲基苯基)高哌嗪单盐酸盐
  参考文献：
  名称：

  An improved synthesis of N-aryl and N-heteroaryl substituted homopiperazines—from conventional thermal conditions to scaling-up using microwave heating

  摘要：

  An efficient Pd(0)-catalyzed Buchwald-Hartwig protocol for the facile preparation of N-aryl and N-heteroaryl substituted homopiperazines is described. The syntheses proceeded with aryl- and heteroaryl halides in high yields using X-Phos as best ligand. The C-N coupling products were prepared both under conventional as well as microwave heating conditions and examples for microwave-assisted upscaling are included in this study. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.07.086

文献信息

• An improved synthesis of N-aryl and N-heteroaryl substituted homopiperazines—from conventional thermal conditions to scaling-up using microwave heating
  作者：Uwe Schön、Josef Messinger、M. Buckendahl、M.S. Prabhu、A. Konda

  DOI：10.1016/j.tet.2009.07.086

  日期：2009.9

  An efficient Pd(0)-catalyzed Buchwald-Hartwig protocol for the facile preparation of N-aryl and N-heteroaryl substituted homopiperazines is described. The syntheses proceeded with aryl- and heteroaryl halides in high yields using X-Phos as best ligand. The C-N coupling products were prepared both under conventional as well as microwave heating conditions and examples for microwave-assisted upscaling are included in this study. (C) 2009 Elsevier Ltd. All rights reserved.