8,22,33-Trimethyl-5,8,11,19,22,25,30,33,36-nonazatetracyclo[13.13.9.13,27.113,17]nonatriaconta-1(28),2,13,15,17(39),27(38)-hexaene-4,12,18,26,29,37-hexone | 1032197-99-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 8,22,33-Trimethyl-5,8,11,19,22,25,30,33,36-nonazatetracyclo[13.13.9.13,27.113,17]nonatriaconta-1(28),2,13,15,17(39),27(38)-hexaene-4,12,18,26,29,37-hexone
• CAS: 1032197-99-1
• 化学式: C₃₃H₄₅N₉O₆
• 分子量: 663.777
• InChiKey: JNIDJCDKCIKLRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  184
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-甲基-2,2-二氨基二乙胺 、 1,3,5-苯三甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以15%的产率得到8,22,33-Trimethyl-5,8,11,19,22,25,30,33,36-nonazatetracyclo[13.13.9.13,27.113,17]nonatriaconta-1(28),2,13,15,17(39),27(38)-hexaene-4,12,18,26,29,37-hexone
  参考文献：
  名称：

  Cyclophane Capsule Motifs with Side Pockets

  摘要：

  Neutral and charged multitopic cyclophane-capped anion hosts connected by three or four diamide/monoamine chains and a decomposition product with two chains have been synthesized and characterized. The chains in the two former hosts fold together to form one or two binding pockets, respectively, and FHF-, and several phosphate complexes have been obtained with the anions nestled in these pockets. The decomposition product also shows propensity for binding dicarboxylates, as evidenced by an isophthalate crystal structure.

  DOI：

  10.1021/ol800762j