25,27-bis(5-p-toluenesulfonyloxy-3-oxapentyl-oxy)calix[4]arene crown-6 | 537041-40-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 25,27-bis(5-p-toluenesulfonyloxy-3-oxapentyl-oxy)calix[4]arene crown-6
• 英文别名: 2-[2-[[44-[2-[2-(4-Methylphenyl)sulfonyloxyethoxy]ethoxy]-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26,28,30(44),32,34,37(43),38,40-dodecaen-43-yl]oxy]ethoxy]ethyl 4-methylbenzenesulfonate；2-[2-[[44-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26,28,30(44),32,34,37(43),38,40-dodecaen-43-yl]oxy]ethoxy]ethyl 4-methylbenzenesulfonate
• CAS: 537041-40-0
• 化学式: C₆₀H₇₀O₁₆S₂
• 分子量: 1111.34
• InChiKey: LLRWBSGTTVLHIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  78
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  196
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiacalix[4]arene 、 25,27-bis(5-p-toluenesulfonyloxy-3-oxapentyl-oxy)calix[4]arene crown-6 在 potassium carbonate 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 24.0h， 以33%的产率得到2a,5a,8a,13,16,19,22a,25a,28a,31a,33,34a,36,37a,39,53,56,59,62,65,68,82,85,88-Tetracosaoxa-26,41a,42a,95-tetrathianonadecacyclo[108.28.1.111,120.121,90.131,100.141,70.151,80.05,138.07,12.020,25.027,32.040,45.047,52.069,74.076,81.089,94.096,101.0109,114.0116,121]tetratetracontahecta-a(1a),1(38a),2,4,7(12),8,9a(10a),10,11a(12a),13a(14a),16a(21a),17a(18a),19a(20a),20(25),21,23,27,29,31,40(45),41,43,47(52),48,50,69,71,73,76,78,80,89(94),90,92,96,98-hexatriacontaene
  参考文献：
  名称：

  Silver Ion Shuttling in the Trimer-Mimic Thiacalix[4]crown Tube

  摘要：

  Novel 1,3-alternate calix-thiacalix[4] crown trimers bearing crown-5 and crown-6 were prepared. As proven by X-ray diffraction, in a 1:2 mole ratio of ligand to metal ion, the Cs+ and K+ ions prefer to be encapsulated in the trimeric thiacalix[4]crown-6 and crown-5, respectively. On the contrary, the Ag+ ion was found to be entrapped in the central thiacalix spacer as a 1:1 complex confirmed by H-1 NMR spectrosocpy. Variable-temperature H-1 NMR studies for the trimeric thiacalix[4]crown-6 encapsulating the silver ion revealed that the Ag+ ion oscillates through the central thiacalix spacer with the aid of cation-pi interactions.

  DOI：

  10.1021/jo035567n
• 作为产物：
  描述：

  calix<4>crown-6 在 sodium hydroxide 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 24.0h， 生成 25,27-bis(5-p-toluenesulfonyloxy-3-oxapentyl-oxy)calix[4]arene crown-6
  参考文献：
  名称：

  Modular chemistry. Double- and multi-1,3-alternate-calixcrowns

  摘要：

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02657-6

文献信息

• Modular chemistry. Double- and multi-1,3-alternate-calixcrowns
  作者：Sung Kuk Kim、Wonbo Sim、Jacques Vicens、Jong Seung Kim

  DOI：10.1016/s0040-4039(02)02657-6

  日期：2003.1

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.
• Silver Ion Shuttling in the Trimer-Mimic Thiacalix[4]crown Tube
  作者：Sung Kuk Kim、Jae Kwang Lee、Seoung Ho Lee、Mi S. Lim、Soon W. Lee、Wonbo Sim、Jong Seung Kim

  DOI：10.1021/jo035567n

  日期：2004.4.1

  Novel 1,3-alternate calix-thiacalix[4] crown trimers bearing crown-5 and crown-6 were prepared. As proven by X-ray diffraction, in a 1:2 mole ratio of ligand to metal ion, the Cs+ and K+ ions prefer to be encapsulated in the trimeric thiacalix[4]crown-6 and crown-5, respectively. On the contrary, the Ag+ ion was found to be entrapped in the central thiacalix spacer as a 1:1 complex confirmed by H-1 NMR spectrosocpy. Variable-temperature H-1 NMR studies for the trimeric thiacalix[4]crown-6 encapsulating the silver ion revealed that the Ag+ ion oscillates through the central thiacalix spacer with the aid of cation-pi interactions.