5-Methyl-14-phenyl-15-thia-1,9,11,13-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,10,12(16),13-hexaene | 141236-26-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5-Methyl-14-phenyl-15-thia-1,9,11,13-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,10,12(16),13-hexaene
• CAS: 141236-26-2
• 化学式: C₁₉H₁₆N₄S
• 分子量: 332.429
• InChiKey: HFUUPHBHUMYUCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  68.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-azido-5-methylbenzyl alcohol 在 sodium tetrahydroborate 、 氯化亚砜 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 47.5h， 生成 5-Methyl-14-phenyl-15-thia-1,9,11,13-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,10,12(16),13-hexaene
  参考文献：
  名称：

  Synthetic applications of bis(iminophosphoranes). One-pot preparation of rigid bicyclic guanidines

  摘要：

  A one-pot synthesis of [6 + 6], [6 + 7], and [6 + 8] bicyclic guanidines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aryl isocyanates or isothiocyanates is described. The method is also applicable for the preparation of chiral bicyclic guanidines.

  DOI：

  10.1021/jo00059a015

文献信息

• One-pot preparation of rigid bicyclic guanidines from bis(iminophosphoranes) by a consecutive five-step process
  作者：Pedro Molina、Mateo Alajarín、Angel Vidal

  DOI：10.1039/c39920000295

  日期：——

  A one-pot synthesis of bicyclic guandines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aromatic isocyanates, is described.

  本文介绍了一种基于二氢嘧啶环化新方法的双环鸟嘌呤单锅合成法，该方法涉及双（亚氨基磷烷）与芳香族异氰酸酯的反应。
• Synthetic applications of bis(iminophosphoranes). One-pot preparation of rigid bicyclic guanidines
  作者：Pedro Molina、Mateo Alajarin、Angel Vidal

  DOI：10.1021/jo00059a015

  日期：1993.3

  A one-pot synthesis of [6 + 6], [6 + 7], and [6 + 8] bicyclic guanidines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aryl isocyanates or isothiocyanates is described. The method is also applicable for the preparation of chiral bicyclic guanidines.