5,11,17,19-tetrakis(dimethylaminomethyl)-2,8,14,20-tetrahexyl-4,6,10,12,16,18,22,24-octahydroxypentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene | 206115-85-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,17,19-tetrakis(dimethylaminomethyl)-2,8,14,20-tetrahexyl-4,6,10,12,16,18,22,24-octahydroxypentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
• 英文别名: 5,11,17,23-tetrakis[(dimethylamino)methyl]-2,8,14,20-tetrahexylpentacyclo[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-dodecaene-4,6,10,12,16,18,22,24-octol
• CAS: 206115-85-7
• 化学式: C₆₄H₁₀₀N₄O₈
• 分子量: 1053.52
• InChiKey: MNMPQQADQCHGHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  76.0
• 可旋转键数：
  28.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  174.8
• 氢给体数：
  8.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  5,11,17,19-tetrakis(dimethylaminomethyl)-2,8,14,20-tetrahexyl-4,6,10,12,16,18,22,24-octahydroxypentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到4,6,10,12,16,18,22,24-octahydroxy-5,11,17,19-tetra(N,N-dimethylaminothiocarbonyl)-2,8,14,20-tetrahexylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1020727505464
• 作为产物：
  描述：

  四甲基甲烷二胺 、 tetrahexylcalix[4]resorcinarene 以 苯 为溶剂， 反应 8.0h， 以63%的产率得到5,11,17,19-tetrakis(dimethylaminomethyl)-2,8,14,20-tetrahexyl-4,6,10,12,16,18,22,24-octahydroxypentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
  参考文献：
  名称：

  Burilov; Nikolaeva; Makeeva, Russian Journal of General Chemistry, 1997, vol. 67, # 5, p. 816 - 818

  摘要：

  DOI：

文献信息

• ——
  作者：A. R. Burilov、D. I. Kharitonov、N. I. Bashmakova、T. B. Makeeva、I. L. Nikolaeva、M. A. Pudovik、A. I. Konovalov

  DOI：10.1023/a:1026300817910

  日期：——

  A series of aminophosphino cavitands were synthesized by reactions of dialkylaminomethyl-substituted calix[4]resorcinolarenes with hexaalkylphosphorous triamides, and their properties were studied. New aminoalkylated (thio)phosphato(phosphonato) cavitands were prepared by phosphorylation of dialkylaminomethyl-substituted calix[4]resorcinolarenes with phosphorus(V) dichlorides in the presence of a base. Their reactions with electrophilic alkylating agents (methyl trifluoromethanesulfonate, methyl iodide, and triethyloxonium tetrafluoroborate) were examined.
• ——
  作者：S. A. Terent'eva、I. L. Nikolaeva、A. R. Burilov、D. I. Kharitonov、E. V. Popova、M. A. Pudovik、I. A. Litvinov、A. T. Gubaidullin、A. I. Konovalov

  DOI：10.1023/a:1012365203479

  日期：——

  By reaction of calix[4]resorcinarene with 2-ethyl-1,3,2-benzoxazaphospholine in 1:1 ratio we prepared a cavitand possessing one dioxaphosphocinic fragment on the upper circle of the molecule. Reaction of the same compounds in ether solution in 1:4 and 1:8 ratio according to the data of spectral methods leads initially to formation of addition product, the P-H phosphorane with composition 1:4. This compound is not stable and on keeping forms 2-oxo-2-ethyl-1,3,2-benzoxazaphospholine, spirophosphorane, omicron -aminophenol and phosphorylated calixarene. In the reaction of the aminoalkylated calixarene with 2-ethyl-1,3,2-benzoxazaphospholine we isolated a compound possessing four hydrophoshonyl fragments on the upper circle of the calixarene matrix.
• Burilov, A. R.; Nikolaeva, I. L.; Makeeva, T. V., Russian Journal of General Chemistry, 1997, vol. 67, # 5, p. 821 - 822
  作者：Burilov, A. R.、Nikolaeva, I. L.、Makeeva, T. V.、Pudovik, M. A.、Reznik, V. S.、ert al.

  DOI：——

  日期：——
• ——
  作者：I. L. Nikolaeva、A. R. Burilov、D. I. Kharitonov、N. E. Krepysheva、M. A. Pudovik、A. I. Konovalov

  DOI：10.1023/a:1015421601614

  日期：——

  Calix[4]resorcinolarenes and their dialkylaminomethylated derivatives react with trimethylsilyl isocyanate to form addition products containing four silylcarbamate groups. These compounds are unstable and, depending on the nature of alkyl groups at the lower rim of the macrocycle, undergo two types of transformations. Intramolecular silylation yields calixarenes containing four carbamate and four trimethylsilyloxy groups at the upper rim. In the case of dialkylaminomethylated calixarenes, the initially formed addition products can undergo intramolecular cyclization to form a cavitand with four six-membered fragments at the upper rim.