1-bromomethyl-3,5-bis[(6-methylpyridin-2-yl)aminomethyl]-2,4,6-triethylbenzene | 928150-66-7

• 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: 1-bromomethyl-3,5-bis[(6-methylpyridin-2-yl)aminomethyl]-2,4,6-triethylbenzene
• 英文别名: N-[[3-(bromomethyl)-2,4,6-triethyl-5-[[(6-methylpyridin-2-yl)amino]methyl]phenyl]methyl]-6-methylpyridin-2-amine
• CAS: 928150-66-7
• 化学式: C₂₇H₃₅BrN₄
• 分子量: 495.506
• InChiKey: SNLMXCRATKHEGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  49.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-bromomethyl-3,5-bis[(6-methylpyridin-2-yl)aminomethyl]-2,4,6-triethylbenzene 在 氨 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 24.0h， 以83%的产率得到1-aminomethyl-3,5-bis[(6-methylpyridin-2-yl)aminomethyl]-2,4,6-triethylbenzene
  参考文献：
  名称：

  Molecular Recognition of N-Acetylneuraminic Acid with Acyclic Benzimidazolium- and Aminopyridine/guanidinium-Based Receptors

  摘要：

  Acyclic receptors incorporating neutral and cationic recognition sites show effective binding of N-acetylneuraminic acid (Neu5Ac), the most naturally abundant sialic acid, in highly competitive solvents such as dimethyl sulfoxide (DMSO) and water/DMSO. Receptors 6b and 7b are able to form neutral/charge-reinforced hydrogen bonds and ion pairs with Neu5Ac, similar to sialic acid-binding proteins. Syntheses and binding properties of the artificial receptors are discussed.

  DOI：

  10.1021/jo061901e
• 作为产物：
  描述：

  2-氨基-6-甲基吡啶 、 1,3,5-三(溴甲基)-2,4,6-三乙基苯 在 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 48.0h， 以33%的产率得到1-bromomethyl-3,5-bis[(6-methylpyridin-2-yl)aminomethyl]-2,4,6-triethylbenzene
  参考文献：
  名称：

  Molecular Recognition of N-Acetylneuraminic Acid with Acyclic Benzimidazolium- and Aminopyridine/guanidinium-Based Receptors

  摘要：

  Acyclic receptors incorporating neutral and cationic recognition sites show effective binding of N-acetylneuraminic acid (Neu5Ac), the most naturally abundant sialic acid, in highly competitive solvents such as dimethyl sulfoxide (DMSO) and water/DMSO. Receptors 6b and 7b are able to form neutral/charge-reinforced hydrogen bonds and ion pairs with Neu5Ac, similar to sialic acid-binding proteins. Syntheses and binding properties of the artificial receptors are discussed.

  DOI：

  10.1021/jo061901e