4-methylbenzylammonium | 124225-47-4

• 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: 4-methylbenzylammonium
• 英文别名: p-Tolylmethylammonium-Ion；(4-Methylphenyl)methylazanium
• CAS: 124225-47-4
• 化学式: C₈H₁₂N
• 分子量: 122.19
• InChiKey: HMTSWYPNXFHGEP-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  、 4-methylbenzylammonium 生成 C₈H₁₂N⁽¹⁺⁾*C₇₆H₅₆N₄O₂₈^(12-)
  参考文献：
  名称：

  Water-soluble aminocalix[4]arene receptors with hydrophobic and hydrophilic mouths

  摘要：

  We report the new water-soluble aminocalix[4]arene hosts 1 and 2 with deep hydrophobic cavity facilitating hydrophobic mouth and hydrophilic mouth, respectively. The H-1 NMR titrations revealed that host 1 shows high selectivity for neutral guests 9 and 10, with log K of 4.2 and 4.6, respectively. The host 2 shows log K of 4.9 for binding with guest 15. Moreover, the binding ability of the host 2 for guest 14 is stronger by a factor of 1000 than that of the host 1. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.073
• 作为产物：
  描述：

  1-methyl-4-(phenylacetyl)pyridinium cation 、 4-甲基苄胺 以 水 为溶剂， 生成 4-methylbenzylammonium 、 2-(1-methylpyridin-1-ium-4-yl)-2-oxo-1-phenylethan-1-ide
  参考文献：
  名称：

  Bunting, John W.; Stefanidis, Dimitrios, Journal of the American Chemical Society, 1990, vol. 112, # 2, p. 779 - 786

  摘要：

  DOI：

文献信息

• Bunting, John W.; Stefanidis, Dimitrios, Journal of the American Chemical Society, 1990, vol. 112, # 2, p. 779 - 786
  作者：Bunting, John W.、Stefanidis, Dimitrios

  DOI：——

  日期：——
• Water-soluble aminocalix[4]arene receptors with hydrophobic and hydrophilic mouths
  作者：Satish Balasaheb Nimse、Van-Thuan Nguyen、Junghoon Kim、Hyung-Sup Kim、Keum-Soo Song、Woon-Young Eoum、Chan-Yong Jung、Van-Thao Ta、Sudhakara Reddy Seelam、Taisun Kim

  DOI：10.1016/j.tetlet.2010.03.073

  日期：2010.5

  We report the new water-soluble aminocalix[4]arene hosts 1 and 2 with deep hydrophobic cavity facilitating hydrophobic mouth and hydrophilic mouth, respectively. The H-1 NMR titrations revealed that host 1 shows high selectivity for neutral guests 9 and 10, with log K of 4.2 and 4.6, respectively. The host 2 shows log K of 4.9 for binding with guest 15. Moreover, the binding ability of the host 2 for guest 14 is stronger by a factor of 1000 than that of the host 1. (C) 2010 Elsevier Ltd. All rights reserved.