阿立哌唑二聚物 | 1797986-18-5

• 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: 阿立哌唑二聚物
• 中文别名: 阿立哌唑杂质
• 英文名称: Aripiprazole Dimer
• 英文别名: 7-[4-[4-[2,3-dichloro-4-[1-[2,3-dichloro-4-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]phenyl]ethyl]phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
• CAS: 1797986-18-5
• 化学式: C₄₈H₅₆Cl₄N₆O₄
• 分子量: 922.822
• InChiKey: SYZDOGGVENFNDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  62
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  89.6
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,1'-[乙亚基二(2,3-二氯-4,1-亚苯基)]二[4-甲基-哌嗪 在 potassium carbonate 作用下， 以 甲醇 、 水 、 1,2-二氯乙烷 、 异丙醇 为溶剂， 反应 11.0h， 生成 阿立哌唑二聚物
  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.