4-benzyl-3,4-dihydro-7-(2-imidazolin-2-ylamino)-2H-1,4-benzoxazine | 120711-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4-benzyl-3,4-dihydro-7-(2-imidazolin-2-ylamino)-2H-1,4-benzoxazine
• 英文别名: 4-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazin-7-amine
• CAS: 120711-87-7
• 化学式: C₁₈H₂₀N₄O
• 分子量: 308.383
• InChiKey: JFABGYBPJDRORT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-硝基-3,4-二氢-2H-1,4-苯并噁嗪 在 盐酸 、 甲醇 、 sodium hydroxide 、 tin 、 硼烷四氢呋喃络合物 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 24.0h， 生成 4-benzyl-3,4-dihydro-7-(2-imidazolin-2-ylamino)-2H-1,4-benzoxazine
  参考文献：
  名称：

  Heteroaromatic analogs of the .alpha.2-adrenoreceptor partial agonist clonidine

  摘要：

  A 1,4-dioxane analogue (1) of the alpha 2-adrenoreceptor partial agonist clonidine (2) has previously been shown to possess an interesting but complex pharmacological profile. In this study, from a series of other heterocyclic analogues of clonidine, the 1,4-oxazines 6 and 12 were found to resemble 1 in that they are partial alpha 2-agonists in the periphery and are excluded from the central nervous system. However, when given directly into the brain, they behave as pure alpha 2-antagonists.

  DOI：

  10.1021/jm00127a037

文献信息

• Heteroaromatic analogs of the .alpha.2-adrenoreceptor partial agonist clonidine
  作者：Christopher B. Chapleo、Richard C. M. Butler、David C. England、Peter L. Myers、Alan G. Roach、Colin F. C. Smith、Michael R. Stillings、Ian F. Tulloch

  DOI：10.1021/jm00127a037

  日期：1989.7

  A 1,4-dioxane analogue (1) of the alpha 2-adrenoreceptor partial agonist clonidine (2) has previously been shown to possess an interesting but complex pharmacological profile. In this study, from a series of other heterocyclic analogues of clonidine, the 1,4-oxazines 6 and 12 were found to resemble 1 in that they are partial alpha 2-agonists in the periphery and are excluded from the central nervous system. However, when given directly into the brain, they behave as pure alpha 2-antagonists.