N,N'-Bis-[tris(hydroxymethyl)methyl]-5-tert-butyl-1,3-benzenedicarboxamide

• 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: N,N'-Bis-[tris(hydroxymethyl)methyl]-5-tert-butyl-1,3-benzenedicarboxamide
• 英文别名: N,N'-bis[tris(hydroxymethyl)methyl]-5-tert-butyl-1,3-benzenedicarboxamide；5-tert-butyl-1-N,3-N-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3-dicarboxamide
• 化学式: C₂₀H₃₂N₂O₈
• 分子量: 428.483
• InChiKey: LAJVPTHJPIELQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  180
• 氢给体数：
  8
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-叔丁基-1,3-苯二羧酸 、 三羟甲基氨基甲烷 在 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 作用下， 以 吡啶 为溶剂， 反应 5.0h， 以72%的产率得到N,N'-Bis-[tris(hydroxymethyl)methyl]-5-tert-butyl-1,3-benzenedicarboxamide
  参考文献：
  名称：

  One-Step Coupling of Tris(hydroxymethyl)aminomethane to Aliphatic and Aromatic Carboxylic Acids

  摘要：

  我们建立了一种便捷而通用的方法，用于在芳香族或脂肪族核心上附加三齿、六齿和非齿配体。通过这种方法，各种市售羧酸可一步转化为 N-三（羟甲基）甲基羧酰胺。通过使用酰基转移剂 N-乙氧羰基-2-乙氧基-1,2-二氢喹啉（EEDQ），可以选择性地活化酸官能团，形成多羟基树枝状核。

  DOI：

  10.1055/s-2000-7105

文献信息

• Polymers of polyoxometalates and hydroxy-terminated monomer units and uses in degrading noxious agents
  申请人：Emory University

  公开号：US11174352B2

  公开（公告）日：2021-11-16

  This disclosure relates to polymers and polymer compositions having monomer units of polyoxometalates and monomer units comprising hydroxy-terminated molecules such as branched molecules or dendrimers and uses in degradation, decontamination, and deodorization. In certain embodiments, the hydroxy-terminated branched molecules or dendrimers comprise terminal 1,1-tris(hydroxymethyl)methyl or 1,1,1-tris(hydroxyalkyl)methyl groups. In certain embodiments, the hydroxy-terminated molecule is N,N′,N″-tris[tris(hydroxymethyl) methyl]-1,3,5-benzenetricarboxamide.

  本公开涉及具有聚氧甲基丙烯酸酯单体单元和包含羟基封端分子（如支链分子或树枝状聚合物）的单体单元的聚合物和聚合物组合物，以及在降解、去污和除臭中的用途。在某些实施方案中，羟基封端的支链分子或树枝状聚合物包括末端的 1，1-三（羟甲基）甲基或 1，1，1-三（羟烷基）甲基。在某些实施例中，羟基封端分子是 N,N′,N″-三[三（羟甲基）甲基]-1,3,5-苯三甲酰胺。
• Synthesis of <i>N</i>-[Tris(hydroxymethyl)methyl]benzene- carboxamides:  A Convenient Route to Polyhydroxylated Dendritic Cores
  作者：Bernadette A. Hernandez、Virginia Chang、Ignacio Villanueva、Michael D. Heagy

  DOI：10.1021/jo990560k

  日期：1999.9.1
• POLYMERS OF POLYOXOMETALATES AND HYDROXY-TERMINATED MONOMER UNITS AND USES IN DEGRADING NOXIOUS AGENTS
  申请人：Emory University

  公开号：EP3386599B1

  公开（公告）日：2021-07-21
• Polymers of Polyoxometalates and Hydroxy-Terminated Monomer Units and Uses in Degrading Noxious Agents
  申请人：Emory University

  公开号：US20190040208A1

  公开（公告）日：2019-02-07

  This disclosure relates to polymers and polymer compositions having monomer units of polyoxometalates and monomer units comprising hydroxy-terminated molecules such as branched molecules or dendrimers and uses in degradation, decontamination, and deodorization. In certain embodiments, the hydroxy-terminated branched molecules or dendrimers comprise terminal 1,1-tris(hydroxymethyl)methyl or 1,1,1-tris(hydroxyalkyl)methyl groups. In certain embodiments, the hydroxy-terminated molecule is N,N′,N″-tris[tris(hydroxymethyl) methyl]-1,3,5 -benzenetricarboxamide.
• [EN] POLYMERS OF POLYOXOMETALATES AND HYDROXY-TERMINATED MONOMER UNITS AND USES IN DEGRADING NOXIOUS AGENTS<br/>[FR] POLYMÈRES À BASE DE MOTIFS MONOMÈRES POLYOXOMÉTALATES ET DE MOTIFS À TERMINAISONS HYDROXY ET LEURS UTILISATIONS DANS LA DÉGRADATION DES AGENTS NOCIFS
  申请人：UNIV EMORY

  公开号：WO2017146801A2

  公开（公告）日：2017-08-31

  This disclosure relates to polymers and polymer compositions having monomer units of polyoxometalates and monomer units comprising hydroxy-terminated molecules such as branched molecules or dendrimers and uses in degradation, decontamination, and deodorization. In certain embodiments, the hydroxy-terminated branched molecules or dendrimers comprise terminal 1,1-tris(hydroxymethyl)methyl or 1,1,1-tris(hydroxyalkyl)methyl groups. In certain embodiments, the hydroxy-terminated molecule is N,N',N''-tris[tris(hydroxymethyl) methyl]-1,3,5-benzenetricarboxamide.