4-(2′,4′,6′-tri-tert-butylphenoxy)-4′,4″-diaminotriphenylamine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(2′,4′,6′-tri-tert-butylphenoxy)-4′,4″-diaminotriphenylamine
• 英文别名: 4-N-(4-aminophenyl)-4-N-[4-(2,4,6-tritert-butylphenoxy)phenyl]benzene-1,4-diamine
• 化学式: C₃₆H₄₅N₃O
• 分子量: 535.773
• InChiKey: UUACXBMILGPSKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4,6-三叔丁基苯酚 在 1% Pd on activated carbon 、 potassium carbonate 、 一水合肼 、 cesium fluoride 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 120.0h， 生成 4-(2′,4′,6′-tri-tert-butylphenoxy)-4′,4″-diaminotriphenylamine
  参考文献：
  名称：

  Highly Gas Permeable Polyamides Based on Substituted Triphenylamine

  摘要：

  We present synthesis, Characterization, and gas transport properties of a series of new aromatic polyamides (PAs) containing tri-tert-butylphenol-substituted triphenyl-amine moiety (TPA). The PAs showed a good combination of thermal and mechanical properties (T-g up to 284 degrees C, T-d10 up to 400 and 460 degrees C in air and nitrogen, respectively, and tensile strength up to 68 MPa). Gas transport properties of these membranes were investigated for different gases at 35 degrees C. The PAs showed high gas permeability with moderate gas selectivity [P-CO2 = 119.0, P-O2 = 29.0 barrer and P-CO2/P-CH4 = 37.19, P-O2/P-N2 = 9.67]. The effect of the substituted TPA unit on the gas transport properties of these membranes has been investigated and analyzed using molecular dynamics simulations. A thorough structure/property relationship for this class of materials has been established that may serve as a guide to future design of PA-based gas separation membranes.

  DOI：

  10.1021/acs.macromol.5b01044

文献信息

• Highly Gas Permeable Polyamides Based on Substituted Triphenylamine
  作者：Debaditya Bera、Venkat Padmanabhan、Susanta Banerjee

  DOI：10.1021/acs.macromol.5b01044

  日期：2015.7.14

  We present synthesis, Characterization, and gas transport properties of a series of new aromatic polyamides (PAs) containing tri-tert-butylphenol-substituted triphenyl-amine moiety (TPA). The PAs showed a good combination of thermal and mechanical properties (T-g up to 284 degrees C, T-d10 up to 400 and 460 degrees C in air and nitrogen, respectively, and tensile strength up to 68 MPa). Gas transport properties of these membranes were investigated for different gases at 35 degrees C. The PAs showed high gas permeability with moderate gas selectivity [P-CO2 = 119.0, P-O2 = 29.0 barrer and P-CO2/P-CH4 = 37.19, P-O2/P-N2 = 9.67]. The effect of the substituted TPA unit on the gas transport properties of these membranes has been investigated and analyzed using molecular dynamics simulations. A thorough structure/property relationship for this class of materials has been established that may serve as a guide to future design of PA-based gas separation membranes.