5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis(2-hydroxyethoxy)calix<6>arene | 163836-79-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis(2-hydroxyethoxy)calix<6>arene
• 英文别名: 5,11,17,23,29,35-hexa-tert-butyl-37,38,39,40,41,42-hexakis(2-hydroxyethoxy)calix[6]arene；5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexahydroxyethyleneoxycalix[6]arene；2-[[5,11,17,23,29,35-Hexatert-butyl-38,39,40,41,42-pentakis(2-hydroxyethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethanol
• CAS: 163836-79-1
• 化学式: C₇₈H₁₀₈O₁₂
• 分子量: 1237.71
• InChiKey: DPHSMYBNJRTMRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  90
• 可旋转键数：
  24
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  177
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  对甲苯磺酰氯 、 5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis(2-hydroxyethoxy)calix<6>arene 在 吡啶 作用下， 生成 5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexatosylatrethyleneoxycalix[6]arene
  参考文献：
  名称：

  Calix[n]arene phosphine oxides. A new series of cation receptors for extraction of europium, thorium, plutonium and americium in nuclear waste treatment

  摘要：

  报告了一类新型的萼片烯衍生物，其下缘附有氧化膦残基[Calix-(OCH2CH2POPh2)n]，在从模拟核废料中萃取 EuIII、ThIV、PuIV 和 AmIV 方面表现出很高的效率。

  DOI：

  10.1039/c39950002151
• 作为产物：
  描述：

  4-对叔丁基杯[6]芳烃六乙酸六乙酯 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 生成 5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis(2-hydroxyethoxy)calix<6>arene
  参考文献：
  名称：

  Calix[n]arene phosphine oxides. A new series of cation receptors for extraction of europium, thorium, plutonium and americium in nuclear waste treatment

  摘要：

  报告了一类新型的萼片烯衍生物，其下缘附有氧化膦残基[Calix-(OCH2CH2POPh2)n]，在从模拟核废料中萃取 EuIII、ThIV、PuIV 和 AmIV 方面表现出很高的效率。

  DOI：

  10.1039/c39950002151

文献信息

• Synthesis and Structural Characterization of Calix[4]arenes, Calix[6]arenes, and Calix[8]arenes with 3-Hydroxypropoxy or 2-Hydroxyethoxy Functional Groups Appended onto the Lower Rim
  作者：Justin K. Moran、Emil M. Georgiev、Alex T. Yordanov、Joel T. Mague、D. Max Roundhill

  DOI：10.1021/jo00099a032

  日期：1994.10

  The compound 5,11,17,23,29,35-hexa-tert-butyl-37,39,41-trihydroxy-38,40,42-trimethoxycalix[6]arene, 1, has been prepared by treating 5,11,17,23,29,35-hexa-tert-butylcalix[6]arene with potassium carbonate, followed by methyl p-toluenesulfonate. The analogous reaction with the unsubstituted calix[6]arene gives 37,38,39-trihydroxy-40,41,42-trimethoxycalix[6]arene 2. Treating 1 or 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene 3, with sodium hydride followed by allyl bromide gives 5,11,17,23,29,35-hexa-tert-butyl-37,39,41-tris(allyloxy)-38,40,42-trimethoxycalix[6]arene, 4, or 5,11,17,23-tetra-tert-butyl-25,27-bis(allyloxy)-26,28-dimethoxycalix[4]arene, 5, respectively. Compounds 4 and 5 react with BH3, followed by H2O2 to give 5,11,17,23,29,35-hexa-tert-butyl-37,39,41-tris(3-hydroxypropoxy)-38,40,42-trimethoxycalix[6] arene, 6, and 5,11,17,23-tetra-tert-butyl-25,27-bis(3-hydroxypropoxy)-26,28-dimethoxycalix[4]arene, 7, respectively. A general procedure for the synthesis of 2-hydroxyethoxy-substituted calixarenes involves reduction of the corresponding ethyl calixaryl acetates with LiAlH4. The procedure has been used to synthesize 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(2-hydroxyethoxy)calixarene, 8, 25,26,27,28-tetra(2-hydroxyethoxy)calix[4]arene, 9, 5,11,17,23,29,35-hexa-tert-butyl-37,38,39,40,4142-hexakis(2-hydroxyethoxy)calix[6]arene 10, 37,38,39,40,41,42-hexa(2-hydroxyethoxy)calix[6]arene, 11, 5,11,17,23,29,35,41,47-octa-tert-butyl-49,50,51,52,53,54,55,56-octakis(2-hydroxyethoxy)calix[8]arene, 12, and 49,50,51,52,53,54,55,56-octakis(2-hydroxyethoxy)calix[8]arene, 13. Compounds 2, 4, 5, 9, and 10 have been characterized by X-ray crystallography. The conformations of the tetrols, hexols, and octols have been computationally explored using molecular mechanics calculations.
• Extraction and Complexation of Alkali, Alkaline Earth, and F-Element Cations by Calixaryl Phosphine Oxides
  作者：F. Arnaud-Neu、J. K. Browne、D. Byrne、D. J. Marrs、M. A. McKervey、P. O'Hagan、M. J. Schwing-Weill、A. Walker

  DOI：10.1002/(sici)1521-3765(19990104)5:1<175::aid-chem175>3.0.co;2-p

  日期：1999.1.4
• Supramolecular Incorporation of Fullerenes on Gold Surfaces:  Comparison of C₆₀ Incorporation by Self-Assembled Monolayers of Different Calix[<i>n</i>]arene (<i>n</i> = 4, 6, 8) Derivatives
  作者：Sheng Zhang、Luis Echegoyen

  DOI：10.1021/jo051606e

  日期：2005.11.1

  Two new calix[6]arene derivatives 3 and 4 in a 1,4-anti conformation and one calix[8]arene derivative 5 were synthesized. SAMS of calix[n]arene (n = 4, 6, 8) derivatives 1-5 were formed on gold bead electrodes. Cyclic voltammetry with Ru(NH3)(6)(3-/2-) as a redox probe, together with impedance spectroscopy and reductive desorption, indicates that SAMS of 5 have a higher coverage than those of 3 and 4 due to the presence of hydrogen bonding and possibly its conformation, Noncovalent immobilization of C-60 on gold surfaces was achieved with SAMs of calix[8]arene derivative 5 but not with those of 1-4.
• JP5767458
  申请人：——

  公开号：——

  公开（公告）日：——
• Moran Justin K., Georgiev Emil M., Yordanov Alex T., Mague Joel T., Round+, J. Org. Chem, 59 (1994) N 20, S 5990-5998
  作者：Moran Justin K., Georgiev Emil M., Yordanov Alex T., Mague Joel T., Round+

  DOI：——

  日期：——