CAS: 161282-96-8; 1,3-Diisopropoxycalix[4]Arenecrown-6

该化合物是属于卡利沙雷内(calix)类的合成化合物,它是由苯酚单位形成的环状寡头骨,这种特殊化合物在丙烯结构的1和3个位置上有两个异丙氧组,加强了其溶解性,并改变了其结合特性.其六联苯表明存在一个六人组成的醚环,以其选择复杂化合物的能力而著称,特别是碱和碱土金属.1,3-二异丙基丙烯[四亚内新冠-6]的独特结构允许其作为超分子化学的宿主分子发挥作用,便利了包容综合体的形成.其应用可能扩大到离子选择性电极,传感器和药物运载系统等领域.该化合物的特点在于其能够形成稳定复合物,其各种金属离子可能受到溶剂极性和相竞离子的存在等因素的影响.

英文名称1,3-Diisopropoxycalix[4]Arenecrown-6
中文名称1,3-二丙氧基冠醚
IUPAC名称32,35-diisopropoxy-6,7,9,10,12,13,15,16,18,19-decahydro-25H,31H-4,21-(methano[1,3]benzenomethano)-26,30-(metheno)dibenzo[q,z][1,4,7,10,13,16]hexaoxacycloheptacosine
其它别名1,3-Diisopropoxycalix[4!Arenecrown-6, 97; 1,3-Diisopropoxycalix[4]Arenecrown-6 ; 31H-4,21-(Methano[1,3]Benzenomethano)-26,30-Metheno-25H-Dibenzo[q,Z][1,4,7,10,13,16]Hexaoxacycloheptacosin, 6,7,9,10,12,13,15,16,18,19-Decahydro-32,35-Bis(1-Methylethoxy)-, Stereoisomer; 32,35-Diisopropoxy-6,7,9,10,12,13,15,16,18,19-Decahydro-25H,31H-4,21-(Methano[1,3]Benzenomethano)-26,30-(Metheno)Dibenzo[q,Z][1,4,7,10,13,16]Hexaoxacycloheptacosine; Bis(2-Propoxy)Calix[4]Arene-Crown-6
CAS编号161282-96-8
MFCD编号:MFCD00802646
分子式:C44H54O8
分子量:710.91
产品CID: 813842
产品分类化学试剂 → 有机试剂 → 冠醚

相似结构搜索
InChIKey: RKXRMMYNTOHWDA-UHFFFAOYSA-N
InChI=1S/C44H54O8/c1-31(2)51-43-37-13-7-14-38(43)28-34-10-6-12-36-30-40-16-8-15-39(44(40)52-32(3)4)29-35-11-5-9-33(27-37)41(35)49-25-23-47-2…
计算化学: 氢键受体数8.0氢键供体数0.0可旋转键数4.0

MSDS等安全信息

上下游产品

2-iodo-propane arene-crown-625,27-dihydrpoxycalix4arene-crown-6 penta(ethylene glycol) bis(p-toluenesulfonate) 3,7.19,13.115,19>-°Ctacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol26,28-bis(1-methylethoxy)pentacyclo19.3.1.13,7.19,13.115,19-°Ctacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol

合成工艺路线路线简述

二对甲苯磺酸戊乙二醇置于碘代三甲硅烷,Sodium Hydride,Caesium Carbonate体系中,用氯仿,N,N-二甲基甲酰胺,乙腈用作溶剂,化学反应 10.0H,反应生成1,3-二丙氧基冠醚
参考文献:Synthesis,Complexation,And Membrane Transport Studies Of 1,3-Alternate Calix[4]Arene-Crown-6 Conformers: A New Class Of Cesium Selective Ionophores
标题:Synthesis,Complexation,And Membrane Transport Studies Of 1,3-Alternate Calix[4]Arene-Crown-6 Conformers: A New Class Of Cesium Selective Ionophores
摘要:1,3-Dialkoxycalix[3]Arene-Crown-6 Ionophores (4A-D) Are Obtained In The Fixed 1,3-Alternate Conformation In 63-85% Yield By The Reaction Of The Corresponding 1,3-Dialkoxycalix[4]Arenes 3A-D With Pentaethylene Glycol Ditosylate In Ch3Cn In The Presence Of Cs2Co3. The Corresponding Cone Conformer Of The Diisopropyl Derivative (6) Was Synthesized Via Selective Demethylation Of The 1,3-Dimethoxycalix-Crown (2A) And Subsequent Dialkylation. Extraction Experiments With Alkali Picrates Reveal A Strong Preference Of Ligands 4 For Cs+. Thermodynamic Parameters Obtained For The Complexation Of 4A Show That The High Stability Constant In Meoh (Log Beta = 6.4 +/-0.4) Is Reflected Mainly In The Large-Delta H-C Value Of 50.2 +/-0.2 Kj . Mol(-1). The Entropy Of Complexation (T Delta S-C =-15 Kj . Mol(-1)),Less Negative Than For Other Crown Ethers,Is Explained In Terms Of Preorganization Of 4A. The X-Ray Structure Of The Cesium Picrate . 4A Complex Shows Clearly That The Cation Is Positioned Between The Two Aromatic Rings With Short Cs-C Distances Of 3.49 And 3.69 Angstrom,Respectively. H-1 Mmr Spectroscopy Confirms This Type Of Structure In Solution. Ligands 4 Incorporated In Supported Liquid Membranes Transport Cs+ Cations With A High Preference Over Na+. By The Application Of An Anion Gradient,Traces Of Cs+ Can Be Removed (Greater Than Or Equal To 99.8%) From Acidic Solutions (Ph = 0) That Contain 4 M Of Nano3.
Doi:10.1021/ja00115A012