3-Methyl-6-methylidene-4-(4-methylphenyl)sulfonyl-8,8-diphenyl-1,4-oxazonan-9-one | 1306830-39-6

• 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: 3-Methyl-6-methylidene-4-(4-methylphenyl)sulfonyl-8,8-diphenyl-1,4-oxazonan-9-one
• CAS: 1306830-39-6
• 化学式: C₂₈H₂₉NO₄S
• 分子量: 475.609
• InChiKey: GHJIDLHEZNGNJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对甲苯磺酰氯 在 吡啶 、 allyl(cyclopentadiene)palladium(II) 、 N,N-diisopropyldibenzo[d,f][1,3,2]dioxaphosphepin-6-amine 作用下， 以 甲苯 为溶剂， 反应 42.5h， 生成 3-Methyl-6-methylidene-4-(4-methylphenyl)sulfonyl-8,8-diphenyl-1,4-oxazonan-9-one 、 2-Methyl-6-methylidene-4-(4-methylphenyl)sulfonyl-8,8-diphenyl-1,4-oxazonan-9-one
  参考文献：
  名称：

  Synthesis of Nine-Membered Azlactones by Palladium-Catalyzed Ring-Expansion of γ-Methylidene-δ-valerolactones with Aziridines

  摘要：

  A palladium-catalyzed formal [6 + 3] cyclization of gamma-methylidene-delta-valerolactones with aziridines has been developed to produce 1,4-oxazonan-9-ones, a class of nine-membered azlactones that are not easily accessible by existing methods. The products thus obtained can also be further functionalized with ease.

  DOI：

  10.1021/jo2006158