1-(1-tritylbenzimidazol-4-yl)-4-methylpiperazine | 247083-11-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-(1-tritylbenzimidazol-4-yl)-4-methylpiperazine
• 英文别名: 4-(4-Methylpiperazin-1-yl)-1-tritylbenzimidazole
• CAS: 247083-11-0
• 化学式: C₃₁H₃₀N₄
• 分子量: 458.606
• InChiKey: NWNFUWRFXWCHMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  24.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(1-tritylbenzimidazol-4-yl)-4-methylpiperazine 在 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 以86%的产率得到4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazole
  参考文献：
  名称：

  Pd(0) Amination of Benzimidazoles as an Efficient Method towards New (Benzimidazolyl)piperazines with High Affinity for the 5-HT1A Receptor

  摘要：

  New (benzimidazolyl)amines have been synthesized from 4- and 6-bromobenzimidazole derivatives via palladium-mediated amination reactions. Among them, (benzimidazol-4(7)-yl)piperazine derivatives have been shown to be a new family of high affinity 5-HT1A receptor ligands. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00225-8
• 作为产物：
  描述：

  4-溴-1H-苯并咪唑 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 1,3-双(二苯基膦)丙烷 、 四丁基碘化铵 、 sodium hydride 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 5.0h， 生成 1-(1-tritylbenzimidazol-4-yl)-4-methylpiperazine
  参考文献：
  名称：

  Pd(0) Amination of Benzimidazoles as an Efficient Method towards New (Benzimidazolyl)piperazines with High Affinity for the 5-HT1A Receptor

  摘要：

  New (benzimidazolyl)amines have been synthesized from 4- and 6-bromobenzimidazole derivatives via palladium-mediated amination reactions. Among them, (benzimidazol-4(7)-yl)piperazine derivatives have been shown to be a new family of high affinity 5-HT1A receptor ligands. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00225-8

文献信息

• Synthesis of new (benzimidazolyl)piperazines with affinity for the 5-HT1A receptor via Pd(0) amination of bromobenzimidazoles
  作者：María L López-Rodríguez、Alma Viso、Bellinda Benhamú、J.Luis Rominguera、Marta Murcia

  DOI：10.1016/s0960-894x(99)00384-4

  日期：1999.8

  The synthesis of a new family of (benzimidazolyl)piperazines has been developed through Pd(0) mediated amination of 4- and 6-bromobenzimidazole derivatives. Preliminary studies showed that some of these compounds are potent 5-HT1A receptor ligands. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Pd(0) Amination of Benzimidazoles as an Efficient Method towards New (Benzimidazolyl)piperazines with High Affinity for the 5-HT1A Receptor
  作者：Marı́a L López-Rodrı́guez、Bellinda Benhamú、David Ayala、J.Luis Rominguera、Marta Murcia、José A Ramos、Alma Viso

  DOI：10.1016/s0040-4020(00)00225-8

  日期：2000.5

  New (benzimidazolyl)amines have been synthesized from 4- and 6-bromobenzimidazole derivatives via palladium-mediated amination reactions. Among them, (benzimidazol-4(7)-yl)piperazine derivatives have been shown to be a new family of high affinity 5-HT1A receptor ligands. (C) 2000 Elsevier Science Ltd. All rights reserved.