11,23-dinitro-25,27-di-iso-propoxycalix[4]arene-26,28-crown-6 | 446030-99-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 11,23-dinitro-25,27-di-iso-propoxycalix[4]arene-26,28-crown-6
• 英文别名: 28,39-Dinitro-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(35),2(32),19(24),20,22,26(44),27,29,33,37,39,41(43)-dodecaene；28,39-dinitro-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(35),2(32),19(24),20,22,26(44),27,29,33,37,39,41(43)-dodecaene
• CAS: 446030-99-5
• 化学式: C₄₄H₅₂N₂O₁₂
• 分子量: 800.903
• InChiKey: PGHSAYWKYCGRCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  58
• 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：
  166
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  11,23-dinitro-25,27-di-iso-propoxycalix[4]arene-26,28-crown-6 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以75%的产率得到11,23-diamino-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 potassium nitrate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以40%的产率得到11,23-dinitro-25,27-di-iso-propoxycalix[4]arene-26,28-crown-6
  参考文献：
  名称：

  Jankowski, Christopher K.; Dozol; Allain, Polish Journal of Chemistry, 2002, vol. 76, # 5, p. 701 - 711

  摘要：

  DOI：

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.
• Jankowski, Christopher K.; Dozol; Allain, Polish Journal of Chemistry, 2002, vol. 76, # 5, p. 701 - 711
  作者：Jankowski, Christopher K.、Dozol、Allain、Tabet、Ungaro、Casnati、Vicens、Asfari、Boivin

  DOI：——

  日期：——