2-(4-t-butyl-2,6-dimethylbenzyl)-1,4,5,6-tetrahydropyrimidine

• 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: 2-(4-t-butyl-2,6-dimethylbenzyl)-1,4,5,6-tetrahydropyrimidine
• 英文别名: 2-(4-tert-Butyl-2,6-dimethyl-benzyl)-1,4,5,6-tetrahydro-pyrimidine；2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,4,5,6-tetrahydropyrimidine
• 化学式: C₁₇H₂₆N₂
• 分子量: 258.407
• InChiKey: MYZPKVPIILDSSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (4-叔丁基-2,6-二甲基苯基)乙腈 、 1,3-丙二胺 在 ethylene diamine mono-p-toluenesulfonic acid salt 作用下， 反应 1.0h， 生成 2-(4-t-butyl-2,6-dimethylbenzyl)-1,4,5,6-tetrahydropyrimidine
  参考文献：
  名称：

  Imidazoline-modified benzylimidazolines as h5-HT1D/1B serotonergic ligands

  摘要：

  Sumatriptan, a h5-HT1D and h5-HT1B receptor agonist used clinically as a migraine-abortive, produces certain side effects thought to result from its affinity for h(5)-HT1B receptors. The present investigation extends our work with benzylimidazolines as novel non-tryptamine h5-(HT1D/1B) ligands. The effect of N-methylation, N-benzylation, ring-aromatization, and variation of the imidazoline ring on affinity both at h5-HT1D and h5-HT1B receptors was examined. Several compounds were identified with good affinity and enhanced(i.e., > 100-fold) h5-HT1D versus h5-HT1B selectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00275-3

文献信息

• US5969137A
  申请人：——

  公开号：US5969137A

  公开（公告）日：1999-10-19
• US6048862A
  申请人：——

  公开号：US6048862A

  公开（公告）日：2000-04-11