α-[5-(2-t-butoxycarbamylethoxy)-(3,5-biscarbonylphenyl)]-ω-(tetra-oxymethyl)-poly[iminoethoxy-(3,5-bis(carbonylphenyl))] | 198700-48-0

• 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: α-[5-(2-t-butoxycarbamylethoxy)-(3,5-biscarbonylphenyl)]-ω-(tetra-oxymethyl)-poly[iminoethoxy-(3,5-bis(carbonylphenyl))]
• 英文别名: Dimethyl 5-[2-[[3-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethylcarbamoyl]-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoyl]amino]ethoxy]benzene-1,3-dicarboxylate；dimethyl 5-[2-[[3-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethylcarbamoyl]-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoyl]amino]ethoxy]benzene-1,3-dicarboxylate
• CAS: 198700-48-0
• 化学式: C₃₉H₄₅N₃O₁₅
• 分子量: 795.797
• InChiKey: MSSMNRWOHVPSLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  57
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  229
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  α-[5-(2-t-butoxycarbamylethoxy)-(3,5-biscarbonylphenyl)]-ω-(tetra-oxymethyl)-poly[iminoethoxy-(3,5-bis(carbonylphenyl))] 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以11.9 g的产率得到α-[5-(2-aminoethoxy-hydrochloride)-(3,5-biscarbonylphenyl)]-ω-(tetra-oxymethyl)-poly[iminoethoxy-(3,5-bis(carbonylphenyl))]
  参考文献：
  名称：

  Perfectly branched polyamide dendrons based on 5-(2-aminoethoxy)-isophthalic acid

  摘要：

  Perfectly branched polyamide dendrons based on 5-(2-aminoethoxy)-isophthalic acid have been synthesized up to generation 4 following the convergent approach. This involved a repetitive reaction of 5-(2-t-butoxycarbamylethoxy)-isophthalic acid with the two fold excess of 5-(2-aminoethoxy-hydrochloride)-isophthalic acid dimethyl ester and its analogs of higher generation, respectively, using activation and protection methods from the peptide chemistry. The products were characterized via elemental analysis, different spectroscopic methods, gel permeation chromatograpy, and differential scanning calorimetry. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00978-2
• 作为产物：
  描述：

  5-羟基间苯二甲酸二甲酯 在 盐酸 、 sodium hydroxide 、 一水合肼 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 78.0h， 生成 α-[5-(2-t-butoxycarbamylethoxy)-(3,5-biscarbonylphenyl)]-ω-(tetra-oxymethyl)-poly[iminoethoxy-(3,5-bis(carbonylphenyl))]
  参考文献：
  名称：

  Perfectly branched polyamide dendrons based on 5-(2-aminoethoxy)-isophthalic acid

  摘要：

  Perfectly branched polyamide dendrons based on 5-(2-aminoethoxy)-isophthalic acid have been synthesized up to generation 4 following the convergent approach. This involved a repetitive reaction of 5-(2-t-butoxycarbamylethoxy)-isophthalic acid with the two fold excess of 5-(2-aminoethoxy-hydrochloride)-isophthalic acid dimethyl ester and its analogs of higher generation, respectively, using activation and protection methods from the peptide chemistry. The products were characterized via elemental analysis, different spectroscopic methods, gel permeation chromatograpy, and differential scanning calorimetry. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00978-2

文献信息

• Perfectly branched polyamide dendrons based on 5-(2-aminoethoxy)-isophthalic acid
  作者：Brigitte I. Voit、Dieter Wolf

  DOI：10.1016/s0040-4020(97)00978-2

  日期：1997.11

  Perfectly branched polyamide dendrons based on 5-(2-aminoethoxy)-isophthalic acid have been synthesized up to generation 4 following the convergent approach. This involved a repetitive reaction of 5-(2-t-butoxycarbamylethoxy)-isophthalic acid with the two fold excess of 5-(2-aminoethoxy-hydrochloride)-isophthalic acid dimethyl ester and its analogs of higher generation, respectively, using activation and protection methods from the peptide chemistry. The products were characterized via elemental analysis, different spectroscopic methods, gel permeation chromatograpy, and differential scanning calorimetry. (C) 1997 Elsevier Science Ltd.