2-[[3,5-Bis[(2-aminophenyl)sulfanylmethyl]-2,4,6-triethylphenyl]methylsulfanyl]aniline | 1029025-56-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[[3,5-Bis[(2-aminophenyl)sulfanylmethyl]-2,4,6-triethylphenyl]methylsulfanyl]aniline
• 英文别名: 2-[[3,5-bis[(2-aminophenyl)sulfanylmethyl]-2,4,6-triethylphenyl]methylsulfanyl]aniline
• CAS: 1029025-56-6
• 化学式: C₃₃H₃₉N₃S₃
• 分子量: 573.891
• InChiKey: JFPSTEIBHJZCOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[[3,5-Bis[(2-aminophenyl)sulfanylmethyl]-2,4,6-triethylphenyl]methylsulfanyl]aniline 、 异氰酸对硝基苯 以 二氯甲烷 为溶剂， 反应 1.0h， 以51%的产率得到1,1',1''-((((2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene))tris(sulfanediyl))tris(benzene-2,1-diyl))tris(3-(4-nitrophenyl)urea)
  参考文献：
  名称：

  基于tris/bis-urea/thiourea 部分的用于阴离子的新型三足和双足比色传感器

  摘要：

  已经报道了以均三甲苯/三乙苯作为核心部分、尿素/硫脲作为结合基团和对硝基苯作为信号单元的七种中性三足和双足受体。受体充当用于小型和球形F离子的选择性比色，肉眼传感器，其来自四面体离子的干扰。硫脲衍生物与 F− 阴离子形成稳定的 1:1 H 键配合物，并在一定程度上与阴离子形成稳定的 1:1 H 键配合物，而对于尿素衍生物，识别仅基于脲酸质子和碱性 F− 离子之间的酸碱反应，并且是完全可逆的现象。硫脲衍生物的预组织及其高内在酸度应该有助于它们与 F-阴离子形成强 H 键复合物。尿素基受体在较低浓度的阴离子时不响应，

  DOI：

  10.1080/10610278.2011.593629
• 作为产物：
  描述：

  2-氨基苯硫醇 、 1,3,5-三(溴甲基)-2,4,6-三乙基苯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以47%的产率得到2-[[3,5-Bis[(2-aminophenyl)sulfanylmethyl]-2,4,6-triethylphenyl]methylsulfanyl]aniline
  参考文献：
  名称：

  Synthesis of new tripodal receptors—a ‘PET’ based ‘off–on’ recognition of Ag+

  摘要：

  A new set of tripodal receptors based upon an aromatic platform have been synthesized in high yields. The compounds have been characterized by spectroscopic techniques and by single crystal X-ray crystallography. These receptors are found to have good extraction ability and high transport rate for Ag(I). The receptor with imine linkages exhibits weak fluorescence emission bands lambda(max)=413 and 540 nm, upon excitation lambda(max)=365 nm. The fluorescence spectrum of the receptor shows enhancement in the intensity of the signal at 413 nm on binding with the Ag+ cation. No such significant changes are observed with other metal ions. An absorption at similar to 365 nm is typical of an intraligand (pi-pi*) transition involving the imine chromophore, which produces a weak emission band at 413 nm due to quenching caused by PET from a neighboring -OH group. Participation of OH group in coordination to the metal ion reduces PET and an enhancement of fluorescence intensity is observed, signaling recognition of the metal ion. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.013

文献信息

• New tripodal and dipodal colorimetric sensors for anions based on tris/bis-urea/thiourea moieties
  作者：Vimal K. Bhardwaj、Sanyog Sharma、Narinder Singh、Maninder Singh Hundal、Geeta Hundal

  DOI：10.1080/10610278.2011.593629

  日期：2011.12.1

  Seven neutral tripodal and dipodal receptors having mesitylene/triethylbenzene as core moiety, urea/thiourea as binding groups and p-nitrobenzene as signalling unit have been reported. The receptors act as selective colorimetric, naked eye sensors for small and spherical F− ion with some interference from tetrahedral ions. Thiourea derivatives form stable 1:1 H-bonded complexes with F− anion and to

  已经报道了以均三甲苯/三乙苯作为核心部分、尿素/硫脲作为结合基团和对硝基苯作为信号单元的七种中性三足和双足受体。受体充当用于小型和球形F离子的选择性比色，肉眼传感器，其来自四面体离子的干扰。硫脲衍生物与 F− 阴离子形成稳定的 1:1 H 键配合物，并在一定程度上与阴离子形成稳定的 1:1 H 键配合物，而对于尿素衍生物，识别仅基于脲酸质子和碱性 F− 离子之间的酸碱反应，并且是完全可逆的现象。硫脲衍生物的预组织及其高内在酸度应该有助于它们与 F-阴离子形成强 H 键复合物。尿素基受体在较低浓度的阴离子时不响应，
• Synthesis of new tripodal receptors—a ‘PET’ based ‘off–on’ recognition of Ag+
  作者：Vimal K. Bhardwaj、Ajay Pal Singh Pannu、Narinder Singh、Maninder Singh Hundal、Geeta Hundal

  DOI：10.1016/j.tet.2008.03.013

  日期：2008.5

  A new set of tripodal receptors based upon an aromatic platform have been synthesized in high yields. The compounds have been characterized by spectroscopic techniques and by single crystal X-ray crystallography. These receptors are found to have good extraction ability and high transport rate for Ag(I). The receptor with imine linkages exhibits weak fluorescence emission bands lambda(max)=413 and 540 nm, upon excitation lambda(max)=365 nm. The fluorescence spectrum of the receptor shows enhancement in the intensity of the signal at 413 nm on binding with the Ag+ cation. No such significant changes are observed with other metal ions. An absorption at similar to 365 nm is typical of an intraligand (pi-pi*) transition involving the imine chromophore, which produces a weak emission band at 413 nm due to quenching caused by PET from a neighboring -OH group. Participation of OH group in coordination to the metal ion reduces PET and an enhancement of fluorescence intensity is observed, signaling recognition of the metal ion. (C) 2008 Elsevier Ltd. All rights reserved.