1,1'-[乙亚基二(2,3-二氯-4,1-亚苯基)]二[4-甲基-哌嗪 | 519138-47-7

• 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: 1,1'-[乙亚基二(2,3-二氯-4,1-亚苯基)]二[4-甲基-哌嗪
• 英文名称: 1,1'-[Ethylidenebis(2,3-dichloro-4,1-phenylene)]bis[4-methyl-piperazine
• 英文别名: 1-[2,3-dichloro-4-[1-[2,3-dichloro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]phenyl]-4-methylpiperazine
• CAS: 519138-47-7
• 化学式: C₂₄H₃₀Cl₄N₄
• 分子量: 516.341
• InChiKey: LIVCJMNSRBXFAY-UHFFFAOYSA-N

物化性质

• 沸点：
  616.4±55.0 °C(Predicted)
• 密度：
  1.289±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、二氯甲烷

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1'-[乙亚基二(2,3-二氯-4,1-亚苯基)]二[4-甲基-哌嗪 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Synthetic study on the unique dimeric arylpiperazine: access to the minor contaminant of aripiprazole

  摘要：

  The dimeric derivative of Aripiprazole was synthesized via the two notable synthetic technologies as a key step: (1) efficient aldehyde bis-arylation by Bi(OTf)(3) and (2) facile Wynberg amination at room temperature. The synthesis has established the structural identity with the minor contaminant sometimes present in Aripiprazole. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00857-0
• 作为产物：
  描述：

  N-甲基哌嗪 、 1,1'-Ethylidenebis[2,3-dichloro-4-methoxy-benzene 在 正丁基锂 作用下， 以 乙二醇二甲醚 、 正己烷 为溶剂， 反应 3.0h， 以22.5 g的产率得到1,1'-[乙亚基二(2,3-二氯-4,1-亚苯基)]二[4-甲基-哌嗪
  参考文献：
  名称：

  Synthetic study on the unique dimeric arylpiperazine: access to the minor contaminant of aripiprazole

  摘要：

  The dimeric derivative of Aripiprazole was synthesized via the two notable synthetic technologies as a key step: (1) efficient aldehyde bis-arylation by Bi(OTf)(3) and (2) facile Wynberg amination at room temperature. The synthesis has established the structural identity with the minor contaminant sometimes present in Aripiprazole. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00857-0

文献信息

• Synthetic study on the unique dimeric arylpiperazine: access to the minor contaminant of aripiprazole
  作者：Yasuhiro Torisawa、Koichi Shinhama、Takao Nishi、Jun-ichi Minamikawa

  DOI：10.1016/s0960-894x(02)00857-0

  日期：2003.1

  The dimeric derivative of Aripiprazole was synthesized via the two notable synthetic technologies as a key step: (1) efficient aldehyde bis-arylation by Bi(OTf)(3) and (2) facile Wynberg amination at room temperature. The synthesis has established the structural identity with the minor contaminant sometimes present in Aripiprazole. (C) 2002 Elsevier Science Ltd. All rights reserved.