4,14,24,34-tetrahydroxy-2,12,22,32-tetra(4-methylphenyl)-7,17,27,37-tetra[1-ethoxycarbonyl(2-methyl)]propyl-7,17,27,37-tetraazanocyclo[31.7.1.1(3,11).1(13,21).1(23,31).0(5,15).0(15,20).0(25,30)]tetratetraconta-(41),3,5(10),11(44),13,15(20),21(43),23,25(30),31(42),33,35(40)-dodecaene | 1217488-02-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4,14,24,34-tetrahydroxy-2,12,22,32-tetra(4-methylphenyl)-7,17,27,37-tetra[1-ethoxycarbonyl(2-methyl)]propyl-7,17,27,37-tetraazanocyclo[31.7.1.1(3,11).1(13,21).1(23,31).0(5,15).0(15,20).0(25,30)]tetratetraconta-(41),3,5(10),11(44),13,15(20),21(43),23,25(30),31(42),33,35(40)-dodecaene
• 英文别名: Ethyl 3-methyl-2-[17,27,37-tris(1-ethoxy-3-methyl-1-oxobutan-2-yl)-10,20,30,40-tetrahydroxy-2,12,22,32-tetrakis(4-methylphenyl)-5,15,25,35-tetraoxa-7,17,27,37-tetrazanonacyclo[31.7.1.13,11.113,21.123,31.04,9.014,19.024,29.034,39]tetratetraconta-1(41),3,9,11(44),13,19,21(43),23,29,31(42),33,39-dodecaen-7-yl]butanoate
• CAS: 1217488-02-2
• 化学式: C₉₂H₁₀₈N₄O₁₆
• 分子量: 1525.89
• InChiKey: LJYQICVFAFCRIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.9
• 重原子数：
  112
• 可旋转键数：
  24
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  236
• 氢给体数：
  4
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 缬氨酸乙酯 、 2,8,14,20-tetra-p-tolyl-4,6,10,12,16,18,22,24-octahydroxycalix-[4]-resorcarene 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 24.0h， 以51.8%的产率得到4,14,24,34-tetrahydroxy-2,12,22,32-tetra(4-methylphenyl)-7,17,27,37-tetra[1-ethoxycarbonyl(2-methyl)]propyl-7,17,27,37-tetraazanocyclo[31.7.1.1(3,11).1(13,21).1(23,31).0(5,15).0(15,20).0(25,30)]tetratetraconta-(41),3,5(10),11(44),13,15(20),21(43),23,25(30),31(42),33,35(40)-dodecaene
  参考文献：
  名称：

  Calix[4]resorcinols functionalized with amino acid residues

  摘要：

  By the Mannich reaction in ternary systems calix[4]resorcinol-amino acid (amino acid ester, amino lid ester hydrochloride)-formaldehyde calix[4]resorcinols were obtained functionalized on the upper molecule rim by amino acid residues.

  DOI：

  10.1134/s1070363209070159

文献信息

• Calix[4]resorcinols functionalized with amino acid residues
  作者：N. I. Shatalova、E. L. Gavrilova、N. A. Sidorov、A. R. Burilovb、M. A. Pudovik、E. A. Krasil’nikova、A. I. Konovalov

  DOI：10.1134/s1070363209070159

  日期：2009.7

  By the Mannich reaction in ternary systems calix[4]resorcinol-amino acid (amino acid ester, amino lid ester hydrochloride)-formaldehyde calix[4]resorcinols were obtained functionalized on the upper molecule rim by amino acid residues.