6,7,9,10,12,13,15,16,26,27-decahydro-22H,29H-dibenzo[k,w][1,4,7,10-16,19,25,13,22]trioxatetrathiadiazacycloheptacosine-23,30(24H,31H)-dione | 1243724-10-8

• 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: 6,7,9,10,12,13,15,16,26,27-decahydro-22H,29H-dibenzo[k,w][1,4,7,10-16,19,25,13,22]trioxatetrathiadiazacycloheptacosine-23,30(24H,31H)-dione
• CAS: 1243724-10-8
• 化学式: C₂₆H₃₄N₂O₅S₄
• 分子量: 582.83
• InChiKey: RJKWKZCAPFMAHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.98
• 重原子数：
  37.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  85.89
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  6,7,9,10,12,13,15,16,26,27-decahydro-22H,29H-dibenzo[k,w][1,4,7,10-16,19,25,13,22]trioxatetrathiadiazacycloheptacosine-23,30(24H,31H)-dione 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 为溶剂， 以57%的产率得到6,7,9,10,12,13,15,16,23,24,26,27,30,31-tetradecahydro-22H,29H-dibenzo-[k,w][1,4,7,10,16,19,25,13,22]trioxatetrathiadiazacycloheptacosine
  参考文献：
  名称：

  New heavy metal ion-selective macrocyclic ligands with mixed-donor atoms and their extractant properties

  摘要：

  Synthetic procedures for new macrocyclic diamides with N2S4O3- and N2S5O3-donors were given. The corresponding macrocyclic ligands were prepared by reaction of NaBH4 with the macrocyclic diamides in the presence of boron triflouride ethyl etherate in dry tetrahydrofuran. The solvent extraction method was used to evaluate metal-ion binding properties of the new ligands. The values of the extraction constants (log Kex) and the complex compositions were determined for the extracted complexes. The solvent extraction experiments suggested that the reduced N2S5O3-donor macrocycle has Ag+ selectivity compared to Pb2+, Co2+, Ni2+, Mn2+, and Cd2+ for chloroform as organic solvent.

  DOI：

  10.1080/00958972.2010.494303
• 作为产物：
  描述：

  N,N'-[oxybis(ethane-2,1-diyloxyethane-2,1-diylthio-2,1-phenylene)]bis(2-chloroacetamide) 、 1,2-乙二硫醇 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以84%的产率得到6,7,9,10,12,13,15,16,26,27-decahydro-22H,29H-dibenzo[k,w][1,4,7,10-16,19,25,13,22]trioxatetrathiadiazacycloheptacosine-23,30(24H,31H)-dione
  参考文献：
  名称：

  New heavy metal ion-selective macrocyclic ligands with mixed-donor atoms and their extractant properties

  摘要：

  Synthetic procedures for new macrocyclic diamides with N2S4O3- and N2S5O3-donors were given. The corresponding macrocyclic ligands were prepared by reaction of NaBH4 with the macrocyclic diamides in the presence of boron triflouride ethyl etherate in dry tetrahydrofuran. The solvent extraction method was used to evaluate metal-ion binding properties of the new ligands. The values of the extraction constants (log Kex) and the complex compositions were determined for the extracted complexes. The solvent extraction experiments suggested that the reduced N2S5O3-donor macrocycle has Ag+ selectivity compared to Pb2+, Co2+, Ni2+, Mn2+, and Cd2+ for chloroform as organic solvent.

  DOI：

  10.1080/00958972.2010.494303