23-imino-8,11,14-trioxa-22,24,25-triazatetracyclo[19.3.1.0(2,7).0(15,20)]pentacosa-2,4,6,15(20),16,18-hexaene | 1313893-20-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 23-imino-8,11,14-trioxa-22,24,25-triazatetracyclo[19.3.1.0(2,7).0(15,20)]pentacosa-2,4,6,15(20),16,18-hexaene
• 英文别名: 8,11,14-Trioxa-22,24,25-triazatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15,17,19,22-heptaen-23-amine
• CAS: 1313893-20-7
• 化学式: C₁₉H₂₂N₄O₃
• 分子量: 354.409
• InChiKey: POGRXCAKMFVSSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  90.1
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,5-bis(benzaldehydeoxy)-3-oxopentane 、 胍 在 ammonium acetate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 13.0h， 以28%的产率得到23-imino-8,11,14-trioxa-22,24,25-triazatetracyclo[19.3.1.0(2,7).0(15,20)]pentacosa-2,4,6,15(20),16,18-hexaene
  参考文献：
  名称：

  Synthesis and molecular structures of dibenzo(perhydrotriazino)aza-14-crown-4 ethers

  摘要：

  By triple condensation of thiourea or guanidine with 1,omega-bis(2-formylphenoxy)-3-oxapentane and ammonium acetate first representatives of the new class of ethers bis(benzo)aza-14-crown-4 were obtained in 28-73% yield that included as a subunit a symm-perhydrotriazine ring. This reaction also proceeds readily with N-monomethyl- and N-monopropenyl-substituted thioureas affording the corresponding derivatives of triazinoazacrown ether. At the same time urea in the similar condensation does not form the expected perhydrotriazinoazacrown ether. The molecular structure of one perhydroazacrown ether as a complex with a chloroform molecule was established by XRD analysis.

  DOI：

  10.1134/s1070428011050174