succinic acid 6-[2-(3-butyl-ureido)-6-oxo-1,6-dihydro-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester 2-(2-methyl-acryloyloxy)-ethyl ester | 853684-82-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: succinic acid 6-[2-(3-butyl-ureido)-6-oxo-1,6-dihydro-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester 2-(2-methyl-acryloyloxy)-ethyl ester
• 英文别名: succinic acid (3aR,4R,6R,6aR)-6-[2-(3-butylureido)-6-oxo-1,6-dihydropurin-9-yl]-2,2-dimethyltetrahydrofuro[3,4-d]-1,3-dioxol-4-ylmethyl ester 2-(2-methylacryloyloxy)ethyl ester；4-O-[[(3aR,4R,6R,6aR)-4-[2-(butylcarbamoylamino)-6-oxo-1H-purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
• CAS: 853684-82-9
• 化学式: C₂₈H₃₈N₆O₁₁
• 分子量: 634.643
• InChiKey: HVCPJFSSKISJKE-FZGCSJHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  45
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  207
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  succinic acid mono-(6-(2-(3-butyl-ureido)-6-oxo-1,6-dihydro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl) ester 、 甲基丙烯酸羟乙酯 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以71%的产率得到succinic acid 6-[2-(3-butyl-ureido)-6-oxo-1,6-dihydro-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester 2-(2-methyl-acryloyloxy)-ethyl ester
  参考文献：
  名称：

  Formation of a Miscible Supramolecular Polymer Blend through Self-Assembly Mediated by a Quadruply Hydrogen-Bonded Heterocomplex

  摘要：

  A supramolecular network polymer consisting of a pair of immiscible polymers, poly( butyl)methacrylate ( PBMA) and polystyrene ( PS), is described. A urea of guanosine ( 1, UG) and 2,7-diamido1,8-naphthyridine ( 2, DAN), which form an exceptionally strong quadruply hydrogen-bonding complex, are displayed at 1-10 mol % along the main backbone of PBMA and PS, respectively. H-1 NMR studies show heterocomplexation between UG and DAN exclusively. This high-fidelity, high- affinity supramolecular connection of two different polymer coils at the molecular level produces a polymer blend. Blends containing different weight ratios of the polymers and mole percent of the recognition units were characterized by AFM and DSC experiments with no isolated domains observed and a single glass-transition temperature ( T-g). The T-g is tunable by varying the weight ratio of the polymers in the blend. In addition, viscosity measurements, size-exclusion chromatography ( SEC), and dynamic light-scattering ( DLS) studies demonstrate the formation of a supramolecular network structure.

  DOI：

  10.1021/ja0631854