6-tert-butyl-8-[[3-[(6-tert-butyl-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methoxymethyl]-2-(methoxymethoxy)-5-nitrophenyl]methoxymethyl]-2,2-dimethyl-4H-1,3-benzodioxine | 478952-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 6-tert-butyl-8-[[3-[(6-tert-butyl-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methoxymethyl]-2-(methoxymethoxy)-5-nitrophenyl]methoxymethyl]-2,2-dimethyl-4H-1,3-benzodioxine
• CAS: 478952-02-2
• 化学式: C₄₀H₅₃NO₁₀
• 分子量: 707.862
• InChiKey: QXVSYNDIVPZVEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  51
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  6-tert-butyl-8-[[3-[(6-tert-butyl-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methoxymethyl]-2-(methoxymethoxy)-5-nitrophenyl]methoxymethyl]-2,2-dimethyl-4H-1,3-benzodioxine 在 高氯酸 作用下， 以55%的产率得到7,15-Ditert-butyl-23-nitro-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
  参考文献：
  名称：

  Modification of the Upper Rim of Homooxacalix[3]arenes and Complexation between a Nitrohomooxacalix[3]arene Derivative and n-Hexylamine

  摘要：

  Several functional groups were introduced on the upper rim of (lower rim free) homooxacalix[3]arene for the first time. The swinging nitrohomooxacalix[3]arene host 1 was fixed in the cone conformation by complexation with n-hexylamine.

  DOI：

  10.1021/jo026152p
• 作为产物：
  描述：

  2,6-bis(N-methylenemorpholino)-4-nitrophenol 在 4-二甲氨基吡啶 、 sodium hydroxide 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 73.5h， 生成 6-tert-butyl-8-[[3-[(6-tert-butyl-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methoxymethyl]-2-(methoxymethoxy)-5-nitrophenyl]methoxymethyl]-2,2-dimethyl-4H-1,3-benzodioxine
  参考文献：
  名称：

  Modification of the Upper Rim of Homooxacalix[3]arenes and Complexation between a Nitrohomooxacalix[3]arene Derivative and n-Hexylamine

  摘要：

  Several functional groups were introduced on the upper rim of (lower rim free) homooxacalix[3]arene for the first time. The swinging nitrohomooxacalix[3]arene host 1 was fixed in the cone conformation by complexation with n-hexylamine.

  DOI：

  10.1021/jo026152p

文献信息

• Modification of the Upper Rim of Homooxacalix[3]arenes and Complexation between a Nitrohomooxacalix[3]arene Derivative and <i>n</i>-Hexylamine
  作者：Kazunori Tsubaki、Tadamune Otsubo、Tatsuya Morimoto、Hiromi Maruoka、Mika Furukawa、Yashima Momose、Muhong Shang、Kaoru Fuji

  DOI：10.1021/jo026152p

  日期：2002.11.1

  Several functional groups were introduced on the upper rim of (lower rim free) homooxacalix[3]arene for the first time. The swinging nitrohomooxacalix[3]arene host 1 was fixed in the cone conformation by complexation with n-hexylamine.