6^A,6^C,6^E-tribromo-6^A,6^C,6^E-trideoxy-cyclomaltohexaose | 603126-20-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6^A,6^C,6^E-tribromo-6^A,6^C,6^E-trideoxy-cyclomaltohexaose
• 英文别名: hexakis-6^A,6^C,6^E-tribromocyclomaltohexaose；6(I),6(III),6(V)-tribromo-6(I),6(III),6(V)-trideoxy-α-cyclodextrin；(1S,3S,5S,6S,8R,10R,11S,13S,15S,16S,18R,20R,21S,23S,25S,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,15,25-tris(bromomethyl)-10,20,30-tris(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
• CAS: 603126-20-1
• 化学式: C₃₆H₅₇Br₃O₂₇
• 分子量: 1161.54
• InChiKey: UKDRUYGYKVMLCE-RWMJIURBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.5
• 重原子数：
  66
• 可旋转键数：
  6
• 环数：
  22.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  414
• 氢给体数：
  15
• 氢受体数：
  27

反应信息

• 作为反应物：
  描述：

  6^A,6^C,6^E-tribromo-6^A,6^C,6^E-trideoxy-cyclomaltohexaose 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 、 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 75.0h， 生成 6^A,6^C,6^E-triazido-6^A,6^C,6^E-trideoxycyclomaltohexaose 、 hexakis-6^A,6^C6^D,6^E-tetraazidocyclomaltohexaose
  参考文献：
  名称：

  Synthesis of symmetrically modified α-cyclodextrins: an efficient and easy method

  摘要：

  Efficient and simple synthetic methods of designed specific synthons of cyclodextrins are fundamental for the further development of more sophisticated supramolecular devices. Here, a new two step synthesis was proposed for the obtention of the 6(A),6(C),6(E)-triazido-6(A),6(C),6(E)-trideoxy-6(B),6(D),6(F)-tri-O-methylhexakis-(2,3-di-O-methyl)cyclomaltohexaose on a large scale. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01313-3
• 作为产物：
  描述：

  α-环糊精 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6^A,6^C,6^E-tribromo-6^A,6^C,6^E-trideoxy-cyclomaltohexaose
  参考文献：
  名称：

  Tris-ACE-α-cyclodextrin tripods: chemistry and metal coordination behaviour

  摘要：

  本研究介绍了通过 "一锅 "施陶丁格-阿扎-维蒂希（SAW）反应合成 C3-对称三-ACE-(6,6â²-双杂环酰)-δ-环糊精的过程。分析了其金属配位化合物的光谱特性。金属超分子螺旋体的自发形成产生了强激子耦合特征，这为了解配合物的性质、几何形状及其绝对构型提供了许多信息。

  DOI：

  10.1039/c3dt51811f

文献信息

• Host—guest complexation of 6-deoxy-6-(1-pyridinio) derivatives of α-cyclodextrin (cyclomaltohexaose) with inorganic anions in aqueous solution
  作者：Yoshihisa Matsui、Masahiko Fujie、Hiroshi Sakate

  DOI：10.1016/0008-6215(89)85168-7

  日期：1989.10

  Abstract The anions I −1 , SCN − , and Br − formed 1:1 charge-transfer complexes with the HCO 3 − salts of bis-, tris-, and hexakis-[6-deoxy-6-(1-pyridinio)]-α-cyclodextrins in aqueous solution. Increase in the number of the pyridinio groups resulted in a remarkable increase in the binding constant, K a . A maximum K a value of 9 × 10 5 mol −1 .dm 3 was observed for the complex of the hexapyridinio

  摘要阴离子I -1，SCN-和Br-与双-，三-和六-[6-脱氧-6-（1-吡啶）]的HCO 3-盐形成1：1电荷转移络合物。 -α-环糊精在水溶液中。吡啶基团数目的增加导致结合常数K a的显着增加。六吡啶衍生物衍生物与I-的配合物的最大K a值为9×10 5 mol -1 .dm 3。单吡啶和二吡啶衍生物的乙酰化也导致K a值显着增加。
• Tubular duplex α-cyclodextrin triply bridged with disulfide bonds: synthesis, crystal structure and inclusion complexes
  作者：Lucie Krejčí、Miloš Buděšínský、Ivana Císařová、Tomáš Kraus

  DOI：10.1039/b904933a

  日期：——

  Template-free oxidative dimerization of 6(I), 6(III), 6(V)-trisulfanyl-alpha-cyclodextrin proceeds with a remarkable efficiency (> or =94%) yielding an unprecedented duplex alpha-cyclodextrin triply bridged with disulfide linkages whose structure has been confirmed by X-ray analysis.

  6（I），6（III），6（V）-三硫烷基-α-环糊精的无模板氧化二聚以显着的效率（>或= 94％）进行，产生前所未有的双链α-环糊精与二硫键三桥联其结构已通过X射线分析确认。
• Tris-ACE-(6,6′-bipyridyl)-α-cyclodextrin: synthesis and chirality of the tripodal metal complexes
  作者：Guillaume Poisson、Florence Dumarçay-Charbonnier、Alain Marsura

  DOI：10.1016/j.tetlet.2012.02.038

  日期：2012.4

  This Letter describes the synthesis of a C-3-symmetrical tris-(ACE)-(6,6'-bipyridyl)-alpha-CyD via 'one-pot' Staudinger-Aza-Wittig reaction (SAW). Metal complexation behavior was investigated by UV-vis and Circular Dichroism. Coordination of 6,6'-bipyridyl units with Cu-II and Ni-II cations, spontaneously generates a strong exciton coupling-type positive Cotton effect proving the formation of a Lambda-helix with a left-handed screw propeller (M). (C) 2012 Elsevier Ltd. All rights reserved.