2-[[2,3,4,5,6-Pentakis(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole | 1301199-29-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[[2,3,4,5,6-Pentakis(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole
• 英文别名: 2-[[2,3,4,5,6-pentakis(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole
• CAS: 1301199-29-0
• 化学式: C₃₀H₃₆N₆S₁₂
• 分子量: 865.448
• InChiKey: ONVJHXLVMIBOFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  48
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  378
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  2-[[2,3,4,5,6-Pentakis(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole 、 silver perchlorate 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以12%的产率得到
  参考文献：
  名称：

  Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal–Organic Polymer

  摘要：

  Mercaptothiazolinyl functionalized hexapodal (L-1) and tripodal (L-2) receptors on the benzene platform have been synthesized easily in good yields and structurally characterized by a single-crystal X-ray crystallographic study. In the solid state, L-1 shows an orientation of six arms in 1,3,5 vs 2,4,6 facial steric gearing fashion, whereas L-2 adopted C-2v symmetry where two of its thiazolinyl arms are oriented in one direction and the third arm in the another direction. Two silver complexes of L-1, 1 ([2(L-1) center dot 6(AgClO4) center dot 2(CHCl3) center dot HClO4]) and 2 ([2(L-1) center dot 6(AgClO4)]), that are suitable for single-crystal X-ray studies are isolated upon the slow diffusion of a dimethylformamide solution of AgClO4 to the solution of L-1 in chloroform and dichloromethane, respectively. Similarly, upon the slow diffusion of an acetonitrile solution of AgClO4 to the chloroform solution of L-2, colorless crystals of the silver complex of L-2, 3, are successfully isolated. The structural analyses of 1 and 2 show the formation of a silver ion assisted hexanuclear metallocage Ag-6(L-1)(2) via dimeric assembly of L-1 with multiple clefts and pockets toward guests binding. In 1, two chloroform molecules sit in top and bottom pockets, whereas six perchlorate counteranions are bound in six clefts between the silver ion pillared side arms of the metallocage. Though complex 2 shows the formation of a metallocage like 1, the single crystal structural analysis depicts perchlorate counteranions bonded to the silver atoms of the metallocage. On the contrary, the silver complex of tripodal receptor L-2, 3, shows the formation of a metallo-organic polymeric network of L-2 and Ag+. To the best of our knowledge, this work represents the first report on the formation of an M6L2 type metallosupramolecular cage topology with multiple clefts for guest binding by a semirigid hexapodal receptor.

  DOI：

  10.1021/ic102363y
• 作为产物：
  描述：

  2-巯基噻唑 、 六全溴甲基苯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.17h， 以75%的产率得到2-[[2,3,4,5,6-Pentakis(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole
  参考文献：
  名称：

  Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal–Organic Polymer

  摘要：

  Mercaptothiazolinyl functionalized hexapodal (L-1) and tripodal (L-2) receptors on the benzene platform have been synthesized easily in good yields and structurally characterized by a single-crystal X-ray crystallographic study. In the solid state, L-1 shows an orientation of six arms in 1,3,5 vs 2,4,6 facial steric gearing fashion, whereas L-2 adopted C-2v symmetry where two of its thiazolinyl arms are oriented in one direction and the third arm in the another direction. Two silver complexes of L-1, 1 ([2(L-1) center dot 6(AgClO4) center dot 2(CHCl3) center dot HClO4]) and 2 ([2(L-1) center dot 6(AgClO4)]), that are suitable for single-crystal X-ray studies are isolated upon the slow diffusion of a dimethylformamide solution of AgClO4 to the solution of L-1 in chloroform and dichloromethane, respectively. Similarly, upon the slow diffusion of an acetonitrile solution of AgClO4 to the chloroform solution of L-2, colorless crystals of the silver complex of L-2, 3, are successfully isolated. The structural analyses of 1 and 2 show the formation of a silver ion assisted hexanuclear metallocage Ag-6(L-1)(2) via dimeric assembly of L-1 with multiple clefts and pockets toward guests binding. In 1, two chloroform molecules sit in top and bottom pockets, whereas six perchlorate counteranions are bound in six clefts between the silver ion pillared side arms of the metallocage. Though complex 2 shows the formation of a metallocage like 1, the single crystal structural analysis depicts perchlorate counteranions bonded to the silver atoms of the metallocage. On the contrary, the silver complex of tripodal receptor L-2, 3, shows the formation of a metallo-organic polymeric network of L-2 and Ag+. To the best of our knowledge, this work represents the first report on the formation of an M6L2 type metallosupramolecular cage topology with multiple clefts for guest binding by a semirigid hexapodal receptor.

  DOI：

  10.1021/ic102363y

文献信息

• Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal–Organic Polymer
  作者：B. Nisar Ahamed、M. Arunachalam、Pradyut Ghosh

  DOI：10.1021/ic102363y

  日期：2011.6.6

  Mercaptothiazolinyl functionalized hexapodal (L-1) and tripodal (L-2) receptors on the benzene platform have been synthesized easily in good yields and structurally characterized by a single-crystal X-ray crystallographic study. In the solid state, L-1 shows an orientation of six arms in 1,3,5 vs 2,4,6 facial steric gearing fashion, whereas L-2 adopted C-2v symmetry where two of its thiazolinyl arms are oriented in one direction and the third arm in the another direction. Two silver complexes of L-1, 1 ([2(L-1) center dot 6(AgClO4) center dot 2(CHCl3) center dot HClO4]) and 2 ([2(L-1) center dot 6(AgClO4)]), that are suitable for single-crystal X-ray studies are isolated upon the slow diffusion of a dimethylformamide solution of AgClO4 to the solution of L-1 in chloroform and dichloromethane, respectively. Similarly, upon the slow diffusion of an acetonitrile solution of AgClO4 to the chloroform solution of L-2, colorless crystals of the silver complex of L-2, 3, are successfully isolated. The structural analyses of 1 and 2 show the formation of a silver ion assisted hexanuclear metallocage Ag-6(L-1)(2) via dimeric assembly of L-1 with multiple clefts and pockets toward guests binding. In 1, two chloroform molecules sit in top and bottom pockets, whereas six perchlorate counteranions are bound in six clefts between the silver ion pillared side arms of the metallocage. Though complex 2 shows the formation of a metallocage like 1, the single crystal structural analysis depicts perchlorate counteranions bonded to the silver atoms of the metallocage. On the contrary, the silver complex of tripodal receptor L-2, 3, shows the formation of a metallo-organic polymeric network of L-2 and Ag+. To the best of our knowledge, this work represents the first report on the formation of an M6L2 type metallosupramolecular cage topology with multiple clefts for guest binding by a semirigid hexapodal receptor.