1-甲基-3-苯基哌嗪盐酸盐 | 1072159-75-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-甲基-3-苯基哌嗪盐酸盐
• 英文名称: 1-methyl-3-phenylpiperazine hydrochloride
• 英文别名: 1-methyl-3-phenylpiperazin-1-ium;chloride
• CAS: 1072159-75-1
• 化学式: C₁₁H₁₆N₂*ClH
• 分子量: 212.722
• InChiKey: RIJMGKKZTXHZNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  15.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氯-3-氰基吡啶 、 1-甲基-3-苯基哌嗪盐酸盐 在 N-甲基吡咯烷酮 、 potassium fluoride 作用下， 反应 0.25h， 以64%的产率得到1-(3-氰基吡啶-2)-2-苯基-4-甲基哌嗪
  参考文献：
  名称：

  Microwave-induced by-products in the synthesis of 2-(4-methyl-2-phenylpiperazinyl)pyridine-3-carbonitrile

  摘要：

  The Letter describes the investigation of an industrial reaction of N-methylphenylpiperazine and chloro nicotinonitrile, under microwave heating. Besides the formation of the expected 2-(4-methyl-2-phenylpiperazinyl)pyridine-3-carbonitrile (4), extension of the scale leads to unexpected by-products. A specific pathway due to the formation of a reactive 'ionic alkylating intermediate' formed in situ under microwave conditions is proposed to explain the results observed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.05.068
• 作为产物：
  描述：

  1-甲基-3-苯基哌嗪 在 盐酸 作用下， 以 异丙醚 、 水 、 异丙醇 为溶剂， 生成 1-甲基-3-苯基哌嗪盐酸盐
  参考文献：
  名称：

  Microwave-induced by-products in the synthesis of 2-(4-methyl-2-phenylpiperazinyl)pyridine-3-carbonitrile

  摘要：

  The Letter describes the investigation of an industrial reaction of N-methylphenylpiperazine and chloro nicotinonitrile, under microwave heating. Besides the formation of the expected 2-(4-methyl-2-phenylpiperazinyl)pyridine-3-carbonitrile (4), extension of the scale leads to unexpected by-products. A specific pathway due to the formation of a reactive 'ionic alkylating intermediate' formed in situ under microwave conditions is proposed to explain the results observed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.05.068

文献信息

• Microwave-induced by-products in the synthesis of 2-(4-methyl-2-phenylpiperazinyl)pyridine-3-carbonitrile
  作者：Christelle Lamazzi、Armelle Dreau、Christel Bufferne、Christine Flouzat、Patrick Carlier、Rob ter Halle、Thierry Besson

  DOI：10.1016/j.tetlet.2009.05.068

  日期：2009.8

  The Letter describes the investigation of an industrial reaction of N-methylphenylpiperazine and chloro nicotinonitrile, under microwave heating. Besides the formation of the expected 2-(4-methyl-2-phenylpiperazinyl)pyridine-3-carbonitrile (4), extension of the scale leads to unexpected by-products. A specific pathway due to the formation of a reactive 'ionic alkylating intermediate' formed in situ under microwave conditions is proposed to explain the results observed. (C) 2009 Elsevier Ltd. All rights reserved.