2,31-dimethyl-12,13,18,19-tetrahydropentabenzo[b,e,h,o,v][1,7,14,17]-tetraoxa[4]thia[10,21]diazacyclotricasin-11,20-(10H,21H)-dione | 1234207-68-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,31-dimethyl-12,13,18,19-tetrahydropentabenzo[b,e,h,o,v][1,7,14,17]-tetraoxa[4]thia[10,21]diazacyclotricasin-11,20-(10H,21H)-dione
• CAS: 1234207-68-1
• 化学式: C₃₈H₃₄N₂O₆S
• 分子量: 646.764
• InChiKey: NRYXKQMEXZTJER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.17
• 重原子数：
  47.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  95.12
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2,2'-thio-bis[4-methyl-(2-aminophenoxy)phenyl] ether 、 1,2-bis(2-chlorocarbonylethoxy)benzene 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以65%的产率得到2,31-dimethyl-12,13,18,19-tetrahydropentabenzo[b,e,h,o,v][1,7,14,17]-tetraoxa[4]thia[10,21]diazacyclotricasin-11,20-(10H,21H)-dione
  参考文献：
  名称：

  Synthesis of New Multibenzo Oxygen–Sulfur Donor Macrocycles Containing Lactams at Room Temperature

  摘要：

  Some new oxygen-sulfur, multibenzo macrocyclic ligands containing amide groups have been prepared using the macrocyclization process with the reaction of 2,2'-thiobis-[4-methyl(2-aminophenoxy)phenyl ether] as a symmetrical diamine with appropriate dicarboxylicacid dichlorides in moderate yields. This macrocyclization led to the formation of di- and tetramide macrocycles. These reactions were routinely carried out at ambient temperature in CH2Cl2 as solvent in high dilution without template effect conditions. It is found that sulfur the atom affects the rigidity of the macrocycles and diastereotopicity of nuclei in the ring of these series of macrocyclic compounds.

  DOI：

  10.1080/10426500902994320