tert-butyl (R)-(1-(1-(but-2-yn-1-yl)-4-methyl-6-(naphthalen-1-ylmethyl)-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)piperidin-3-yl)carbamate | 1018951-23-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: tert-butyl (R)-(1-(1-(but-2-yn-1-yl)-4-methyl-6-(naphthalen-1-ylmethyl)-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)piperidin-3-yl)carbamate
• CAS: 1018951-23-9
• 化学式: C₃₁H₃₆N₆O₃
• 分子量: 540.665
• InChiKey: KJQFOSRNRSCNNL-XMMPIXPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  40.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  94.28
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (R)-3-Boc-氨基哌啶 、 2-Bromo-3-but-2-ynyl-7-methyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one 在 sodium carbonate 作用下， 以 二甲基亚砜 为溶剂， 以88%的产率得到tert-butyl (R)-(1-(1-(but-2-yn-1-yl)-4-methyl-6-(naphthalen-1-ylmethyl)-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)piperidin-3-yl)carbamate
  参考文献：
  名称：

  Synthesis of 2-bromo-7-methyl-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one and 3-alkyl-2-bromo-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one and their selective elaboration

  摘要：

  Two synthetic routes to the versatile 3,5-dihydro-imidazo[4,5-d]pyridazin-4-ones 2 and 5 have been developed that allow the production of multigram quantities without the need of any chromatographic purification. Broad and selective elaboration of the heteroaromatic scaffolds has also been accomplished. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.102