5,11,17,23-tetranitro-25,27-diisopropoxycalix[4]arene-26,28-crown-6 | 918662-74-5

• 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-tetranitro-25,27-diisopropoxycalix[4]arene-26,28-crown-6
• 英文别名: 22,28,34,39-Tetranitro-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene；22,28,34,39-tetranitro-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene
• CAS: 918662-74-5
• 化学式: C₄₄H₅₀N₄O₁₆
• 分子量: 890.898
• InChiKey: DAKAUOBELKXTSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  64
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  257
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  5,11,17,23-tetranitro-25,27-diisopropoxycalix[4]arene-26,28-crown-6 在 氢气 、 镍 作用下， 以 甲醇 为溶剂， 以76%的产率得到5,11,17,23-tetramino-25,27-diisopropoxycalix[4]arene-26,28-crown-6
  参考文献：
  名称：

  Synthesis of calixarene–cyclodextrin coupling products

  摘要：

  The coupling of two or four mono-6-amino beta-cyclodextrin (amino-CD) units, (unprotected or permethylated hydroxyls), to diisopropoxycalix[4]arene crown-6 (CAL) was realised using the N,N'-succinyldiamide linker. The resulting molecules in two series were characterised with the help of mass and NMR spectroscopies. The yields of all coupling products were improved for permethylated sugar series compared to the hydroxylated CD series or to our previous studies. The two beta-cyclodextrin (beta-CD) residues coupled to disubstituted CAL were orientated from the same side of the crown ether. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.089
• 作为产物：
  描述：

  1,3-二丙氧基冠醚 在 硝酸 、 乙酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以88%的产率得到5,11,17,23-tetranitro-25,27-diisopropoxycalix[4]arene-26,28-crown-6
  参考文献：
  名称：

  Synthesis of calixarene–cyclodextrin coupling products

  摘要：

  The coupling of two or four mono-6-amino beta-cyclodextrin (amino-CD) units, (unprotected or permethylated hydroxyls), to diisopropoxycalix[4]arene crown-6 (CAL) was realised using the N,N'-succinyldiamide linker. The resulting molecules in two series were characterised with the help of mass and NMR spectroscopies. The yields of all coupling products were improved for permethylated sugar series compared to the hydroxylated CD series or to our previous studies. The two beta-cyclodextrin (beta-CD) residues coupled to disubstituted CAL were orientated from the same side of the crown ether. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.089

文献信息

• Synthesis of calixarene–cyclodextrin coupling products
  作者：C. Hocquelet、J. Blu、C.K. Jankowski、S. Arseneau、D. Buisson、L. Mauclaire

  DOI：10.1016/j.tet.2006.09.089

  日期：2006.12

  The coupling of two or four mono-6-amino beta-cyclodextrin (amino-CD) units, (unprotected or permethylated hydroxyls), to diisopropoxycalix[4]arene crown-6 (CAL) was realised using the N,N'-succinyldiamide linker. The resulting molecules in two series were characterised with the help of mass and NMR spectroscopies. The yields of all coupling products were improved for permethylated sugar series compared to the hydroxylated CD series or to our previous studies. The two beta-cyclodextrin (beta-CD) residues coupled to disubstituted CAL were orientated from the same side of the crown ether. (c) 2006 Elsevier Ltd. All rights reserved.