N-[2,2-dimethyl-1-(4-trifluormethylbenzyl)-1,2,3,4-tetrahydropyridin-4-ylid-ene]pyrrolidinium bromide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2,2-dimethyl-1-(4-trifluormethylbenzyl)-1,2,3,4-tetrahydropyridin-4-ylid-ene]pyrrolidinium bromide
• 英文别名: 2,2-dimethyl-4-pyrrolidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-pyridin-1-ium;bromide
• 化学式: Br*C₁₉H₂₄F₃N₂
• 分子量: 417.312
• InChiKey: TULNBTKSVGIUKK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5,6-dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)pyridine-2(1H)-thione 在 碘甲烷 作用下， 以 氯仿 为溶剂， 反应 16.0h， 生成 N-[2,2-dimethyl-1-(4-trifluormethylbenzyl)-1,2,3,4-tetrahydropyridin-4-ylid-ene]pyrrolidinium bromide
  参考文献：
  名称：

  Synthesis of new 1-benzyl tetrahydropyridinylidene ammonium salts and their antimicrobial and anticellular activities

  摘要：

  A series of N-benzyl tetrahydropiperidinylidene pyrrolidinium salts have been synthesized and investigated for their antiplasmodial and antitrypanosomal activities as well as for their cytotoxic effects. The antibacterial, antimycobacterial and anticancer potencies of selected compounds were examined, too. Physicochemical parameters were calculated and structure-activity-relationships are discussed. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.11.025

文献信息

• Synthesis of new 1-benzyl tetrahydropyridinylidene ammonium salts and their antimicrobial and anticellular activities
  作者：Noor-ul-Amin Mohsin、Werner Seebacher、Johanna Faist、Patrick Hochegger、Marcel Kaiser、Pascal Mäser、Ferdinand Belaj、Robert Saf、Nadine Kretschmer、Muaaz Alajlani、Ivana Turek、Adelheid Brantner、Rudolf Bauer、Franz Bucar、Robert Weis

  DOI：10.1016/j.ejmech.2017.11.025

  日期：2018.1

  A series of N-benzyl tetrahydropiperidinylidene pyrrolidinium salts have been synthesized and investigated for their antiplasmodial and antitrypanosomal activities as well as for their cytotoxic effects. The antibacterial, antimycobacterial and anticancer potencies of selected compounds were examined, too. Physicochemical parameters were calculated and structure-activity-relationships are discussed. (C) 2017 Elsevier Masson SAS. All rights reserved.