4-(tert-butoxycarbonyl)-2-butylidene-3-(dimethylcarbamoylmethyl)-3,5-bis(pehnylethynyl)-2,3-dihydro-[1,4]-oxazine | 1233518-46-1

• 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: 4-(tert-butoxycarbonyl)-2-butylidene-3-(dimethylcarbamoylmethyl)-3,5-bis(pehnylethynyl)-2,3-dihydro-[1,4]-oxazine
• CAS: 1233518-46-1
• 化学式: C₃₃H₃₆N₂O₄
• 分子量: 524.66
• InChiKey: RVGVJADMYNDVRM-CEUNXORHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  39.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  59.08
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,1-二甲氧基-N,N-二甲基乙胺 、 4-(tert-butoxycarbonyl)-2-(1-hydroxy-butyl)-3,5-bis-(phenylethynyl)-[1,4]-oxazine 以 xylenes 为溶剂， 反应 0.75h， 以30%的产率得到4-(tert-butoxycarbonyl)-2-butylidene-3-(dimethylcarbamoylmethyl)-3,5-bis(pehnylethynyl)-2,3-dihydro-[1,4]-oxazine
  参考文献：
  名称：

  Access to novel bicyclic fused γ-butyrolactone using [3,3]-sigmatropic rearrangement and acid-lactonization sequence as key transformation

  摘要：

  In this Letter, we wish to disclose a new strategy for the construction of substituted gamma-butyrolactones. The latter might not only be of potential interest in terms of biological activity and synthesis but also allow access to original heterocyclic scaffolds. According to previous study, efficient two-step sequence involving Eschenmoser-Claisen rearrangement and acid-lactonization reaction was successfully applied for the construction of original fused bicyclic gamma-butyrolactones based on an 1.4-oxazine core. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.041