tert-butyl (R)-4-(1-(3-hydroxypropyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methylpiperazine-1-carboxylate | 1191918-50-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl (R)-4-(1-(3-hydroxypropyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methylpiperazine-1-carboxylate
• CAS: 1191918-50-9
• 化学式: C₁₈H₃₀N₄O₄
• 分子量: 366.461
• InChiKey: GAFJVORJUCULBV-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  87.9
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (R)-4-(1-(3-hydroxypropyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methylpiperazine-1-carboxylate 、 苯酚 在 偶氮二甲酸二叔丁酯 作用下， 以 甲苯 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of piperazinylpyrimidinones as novel selective 5-HT2C agonists

  摘要：

  This Letter reports the design and synthesis of several novel series of piperazinyl pyrimidinones as 5-HT2C agonists. Several of the compounds presented exhibit good in vitro potency and selectivity over the closely related 5-HT2A and 5-HT2B receptors. Compound 11 was active in in vivo models of stress urinary incontinence. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.133
• 作为产物：
  描述：

  tert-butyl (R)-4-(1-(3-((tert-butyldiphenylsilyl)oxy)propyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methylpiperazine-1-carboxylate 在 氟化铵 作用下， 以 甲醇 为溶剂， 以98%的产率得到tert-butyl (R)-4-(1-(3-hydroxypropyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methylpiperazine-1-carboxylate
  参考文献：
  名称：

  Design and synthesis of piperazinylpyrimidinones as novel selective 5-HT2C agonists

  摘要：

  This Letter reports the design and synthesis of several novel series of piperazinyl pyrimidinones as 5-HT2C agonists. Several of the compounds presented exhibit good in vitro potency and selectivity over the closely related 5-HT2A and 5-HT2B receptors. Compound 11 was active in in vivo models of stress urinary incontinence. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.133