1,1',1",1‴-((1⁴,1⁶,3⁴,3⁶,5⁴,5⁶,7⁴,7⁶-octahydroxy-1⁵,3⁵,5⁵,7⁵-tetramethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-2,4,6,8-tetrayl)tetrakis(propane-3,1-diyl))tetrakis(3-phenylurea) | 1200829-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,1',1",1‴-((1⁴,1⁶,3⁴,3⁶,5⁴,5⁶,7⁴,7⁶-octahydroxy-1⁵,3⁵,5⁵,7⁵-tetramethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-2,4,6,8-tetrayl)tetrakis(propane-3,1-diyl))tetrakis(3-phenylurea)
• 英文别名: 4,6,10,12,16,18,22,24-octahydroxy-5,11,17,23-tetramethyl-2,8,14,20-tetra[3-(3-phenylureid)propyl]-pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacoza-1(25),3,5,7-(28),9,11,13(27),15, 17,19(26),21,23-dodecaene；N-phenyl-N'-[3-[8,14,20-tris[3-[[anilino(hydroxy)methylidene]amino]propyl]-4,6,10,12,16,18,22,24-octahydroxy-5,11,17,23-tetramethyl-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]propyl]carbamimidic acid
• CAS: 1200829-45-3
• 化学式: C₇₂H₈₀N₈O₁₂
• 分子量: 1249.47
• InChiKey: SACMXSIZCCNGBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  92
• 可旋转键数：
  24
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  340
• 氢给体数：
  16
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  在 乙醇 作用下， 以 苯 为溶剂， 反应 3.0h， 以0.22 g的产率得到1,1',1",1‴-((1⁴,1⁶,3⁴,3⁶,5⁴,5⁶,7⁴,7⁶-octahydroxy-1⁵,3⁵,5⁵,7⁵-tetramethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-2,4,6,8-tetrayl)tetrakis(propane-3,1-diyl))tetrakis(3-phenylurea)
  参考文献：
  名称：

  Reaction of resorcinol and its derivatives with urea acetals

  摘要：

  Reaction of 2-methylresorcinol and pyrogallol with urea acetals of various structures was studied. Depending on the structure of the acetal used, reaction was established to result in either calix[4]resorcinols containing urea fragment or in imidazolidin-2-one derivatives.

  DOI：

  10.1134/s107036320906022x

文献信息

• Acid-catalyzed ring opening in 2-(2-hydroxynaphthalene-1-yl)-pyrrolidine-1-carboxamides: formation of dibenzoxanthenes, diarylmethanes, and calixarenes
  作者：А.S. Gazizov、А.V. Smolobochkin、J.K. Voronina、А.R. Burilov、М.А. Pudovik

  DOI：10.1016/j.tet.2014.12.011

  日期：2015.1

  2-(2-Hydroxynaphthalene-1-yl)pyrrolidine-1-carboxamides undergo ring opening in the presence of trifluoroacetic acid and 2-naphthol leading to the formation of new substituted dibenzoxanthenes. Reaction of 2-(2-hydroxynaphthalene-1-yl)pyrrolidine-1-carboxamides with polyatomic phenols at the same conditions was found leading to diarylmethane derivatives and calix[4]resorcinols with naphthyl fragment

  2-（2-羟基萘-1-基）吡咯烷-1-羧酰胺在三氟乙酸和2-萘酚的存在下开环，导致形成新的取代的二苯并氧杂蒽。发现2-（2-羟基萘-1-基）吡咯烷-1-羧酰胺与多原子酚在相同条件下的反应导致二芳基甲烷衍生物和带有萘基片段作为离去基团的杯[4]间苯二酚。
• Reaction of resorcinol and its derivatives with urea acetals
  作者：M. S. Khakimov、A. S. Gazizov、A. R. Burilov、M. A. Pudovik、A. I. Konovalov

  DOI：10.1134/s107036320906022x

  日期：2009.6

  Reaction of 2-methylresorcinol and pyrogallol with urea acetals of various structures was studied. Depending on the structure of the acetal used, reaction was established to result in either calix[4]resorcinols containing urea fragment or in imidazolidin-2-one derivatives.