6-[[tert-butyl-[1-[diethoxy(oxido)phosphaniumyl]-2,2-dimethylpropyl]amino]oxymethyl]-1H-pyrimidine-2,4-dione | 823802-54-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-[[tert-butyl-[1-[diethoxy(oxido)phosphaniumyl]-2,2-dimethylpropyl]amino]oxymethyl]-1H-pyrimidine-2,4-dione
• CAS: 823802-54-6
• 化学式: C₁₈H₃₄N₃O₆P
• 分子量: 419.458
• InChiKey: JAXPEKVXQJCRPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-(氯甲基)脲嘧啶 、 N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)aminoxyl 在 五甲基二乙烯三胺 、 铜 、 copper(I) bromide 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 24.0h， 以71%的产率得到6-[[tert-butyl-[1-[diethoxy(oxido)phosphaniumyl]-2,2-dimethylpropyl]amino]oxymethyl]-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of Chain End Functionalized Multiple Hydrogen Bonded Polystyrenes and Poly(alkyl acrylates) Using Controlled Radical Polymerization

  摘要：

  Hydrogen bonding uracil functionalized polystyrenes and poly(alkyl acrylate)s were synthesized via stable free radical polymerization. Quantitative chain end functionalization was achieved using novel uracil containing TEMPO- and DEPN-based alkoxyamine unimolecular initiators. Polymerizations were conducted at 130degreesC and yielded functionalized homopolymers with narrow molecular weight distributions (M-w/M-n similar to 1.20) and predictable molecular weights. Polymerizations of both n-butyl acrylate and styrene using the DEPN- and TEMPO-based alkoxyamines resulted in molecular weight control over a wide range of conversions. Terminal functionalization of poly(alkyl acrylate)s with hydrogen bonding groups increased the melt viscosity at temperatures below 80degreesC, which was defined as the dissociation temperature, and as expected, the viscosity approached that of the nonfunctional analogues above this temperature. The hydrogen bonding effect was also evident in thermal (DSC) analysis and H-1 NMR spectroscopic investigations, and low molar mass polystyrenes exhibited glass transition temperatures that were consistent with a higher apparent molar mass. H-1 NMR spectroscopy confirmed the presence of a single hydrogen bonding group at the chain terminus, which was consistent with a well-defined initiation process for two families of novel alkoxyamines.

  DOI：

  10.1021/ma048938q

文献信息

• Synthesis of Chain End Functionalized Multiple Hydrogen Bonded Polystyrenes and Poly(alkyl acrylates) Using Controlled Radical Polymerization
  作者：Brian D. Mather、Jeremy R. Lizotte、Timothy E. Long

  DOI：10.1021/ma048938q

  日期：2004.12.1

  Hydrogen bonding uracil functionalized polystyrenes and poly(alkyl acrylate)s were synthesized via stable free radical polymerization. Quantitative chain end functionalization was achieved using novel uracil containing TEMPO- and DEPN-based alkoxyamine unimolecular initiators. Polymerizations were conducted at 130degreesC and yielded functionalized homopolymers with narrow molecular weight distributions (M-w/M-n similar to 1.20) and predictable molecular weights. Polymerizations of both n-butyl acrylate and styrene using the DEPN- and TEMPO-based alkoxyamines resulted in molecular weight control over a wide range of conversions. Terminal functionalization of poly(alkyl acrylate)s with hydrogen bonding groups increased the melt viscosity at temperatures below 80degreesC, which was defined as the dissociation temperature, and as expected, the viscosity approached that of the nonfunctional analogues above this temperature. The hydrogen bonding effect was also evident in thermal (DSC) analysis and H-1 NMR spectroscopic investigations, and low molar mass polystyrenes exhibited glass transition temperatures that were consistent with a higher apparent molar mass. H-1 NMR spectroscopy confirmed the presence of a single hydrogen bonding group at the chain terminus, which was consistent with a well-defined initiation process for two families of novel alkoxyamines.