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

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 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
• 化学式: C₃₄H₄₃NO₈
• 分子量: 593.717
• InChiKey: CORDCXWEHIWOKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,4,6-triphenylpyrylium tetrafluoroborate 、 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 在 ammonium chloride 、 锌 、 sodium acetate 、 盐酸 作用下， 以 乙醇 、 sodium hydroxide 、 乙酸乙酯 为溶剂， 反应 12.42h， 以92%的产率得到
  参考文献：
  名称：

  Recognition of Alkaline Metals and Amines by a Chromogenic Homooxacalix[3]arene Receptor

  摘要：

  [GRAPHICS]The artificial host molecule 1, consisting of homooxacalix[3]arene and pyridinium N-phenolate dye (Reichardt dye E(T)1) has been prepared. Host 1 contains a proton-ionizable phenol group that acts as a chemical switch to generate color change against alkaline metals and various kind of amines.

  DOI：

  10.1021/ol026019j
• 作为产物：
  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

文献信息

• Recognition of Alkaline Metals and Amines by a Chromogenic Homooxacalix[3]arene Receptor
  作者：Kazunori Tsubaki、Tatsuya Morimoto、Tadamune Otsubo、Kaoru Fuji

  DOI：10.1021/ol026019j

  日期：2002.7.1

  [GRAPHICS]The artificial host molecule 1, consisting of homooxacalix[3]arene and pyridinium N-phenolate dye (Reichardt dye E(T)1) has been prepared. Host 1 contains a proton-ionizable phenol group that acts as a chemical switch to generate color change against alkaline metals and various kind of amines.
• 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.