N'-[[17-[[[hydroxy-[4-(4-phenoxyphenyl)anilino]methylidene]amino]methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]-N-[4-(4-phenoxyphenyl)phenyl]carbamimidic acid | 1160361-44-3

• 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'-[[17-[[[hydroxy-[4-(4-phenoxyphenyl)anilino]methylidene]amino]methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]-N-[4-(4-phenoxyphenyl)phenyl]carbamimidic acid
• CAS: 1160361-44-3
• 化学式: C₈₀H₈₀N₄O₈
• 分子量: 1225.54
• InChiKey: SUSRVHLLBONVNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.5
• 重原子数：
  92
• 可旋转键数：
  26
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  145
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-(4-Iodophenyl)-3-[[17-[[(4-iodophenyl)carbamoylamino]methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]urea 、 4-苯氧基苯基硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium phosphate 、 三叔丁基膦 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 0.12h， 以55%的产率得到N'-[[17-[[[hydroxy-[4-(4-phenoxyphenyl)anilino]methylidene]amino]methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]-N-[4-(4-phenoxyphenyl)phenyl]carbamimidic acid
  参考文献：
  名称：

  Hybrid Calix[4]arenes via Ionic Hydrogenation and Transition-Metal-Mediated Processes

  摘要：

  We report the first application of ionic hydrogenation for the synthesis of upper-rim urea- or carbamate-derived hybrid calix[4]arenes. Subsequent metal-mediated transformations using 4-iodophenylurea calixarenes afforded structurally unique 1,3-di(biaryl)-, 1,3-di(biarylalkyne)-, or 1,3(biaryl)(biarylalkyne)-derived hybrid calixarenes.

  DOI：

  10.1021/ol900714n

文献信息

• Hybrid Calix[4]arenes via Ionic Hydrogenation and Transition-Metal-Mediated Processes
  作者：Sean P. Bew、Rebecca A. Brimage、Glyn Hiatt-Gipson、Sunil V. Sharma、Sean Thurston

  DOI：10.1021/ol900714n

  日期：2009.6.18

  We report the first application of ionic hydrogenation for the synthesis of upper-rim urea- or carbamate-derived hybrid calix[4]arenes. Subsequent metal-mediated transformations using 4-iodophenylurea calixarenes afforded structurally unique 1,3-di(biaryl)-, 1,3-di(biarylalkyne)-, or 1,3(biaryl)(biarylalkyne)-derived hybrid calixarenes.