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 | 478952-05-5

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 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
• CAS: 478952-05-5
• 化学式: C₃₂H₃₉NO₈
• 分子量: 565.664
• InChiKey: IPQTYDIHLSWBCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  41
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  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 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 以67%的产率得到7,15-Ditert-butyl-26,27-dimethoxy-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-nonaen-25-ol
  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：

  7,15-Ditert-butyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-25,26,27-triol 在 硝酸铵 、 乙酸酐 作用下， 反应 5.0h， 以16%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

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.