mono-(6-deoxy-6-(N,N-diethylamino))-β-cyclodextrin | 180004-10-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mono-(6-deoxy-6-(N,N-diethylamino))-β-cyclodextrin
• 英文别名: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5-(diethylaminomethyl)-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 180004-10-8
• 化学式: C₄₆H₇₉NO₃₄
• 分子量: 1190.12
• InChiKey: XWAAGECZCNJMJN-ITVKMGITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.6
• 重原子数：
  81
• 可旋转键数：
  10
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  537
• 氢给体数：
  20
• 氢受体数：
  35

反应信息

• 作为反应物：
  描述：

  mono-(6-deoxy-6-(N,N-diethylamino))-β-cyclodextrin 、 disodium bis(3-sulfonatophenyl)(4-tert-butylphenyl)phosphane 以 water-d2 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  Cyclodextrin-Based Supramolecular P,N Bidentate Ligands and their Platinum and Rhodium Complexes

  摘要：

  We report the elaboration of supramolecular P N bidentate ligands starting from mono N N dialkylamino beta cyclodextrins (CD) and an appropriate phosphane namely the sodium salt of the bis(3 sodiosulfonatophenyl)(4 tert butylphenyl)phosphane (2) The inclusion complexes stemmed from inclusion of 2 in the cavity of mono N N diethylamino beta CD (3) or monopyrrolidino beta CD (4) have been characterized by NMR and isothermal titration calorimetry (ITC) measurements A 1/1 stoichiometry was established for each complex the phosphane entering the CD cavity by the primary face High association constants of 65 000 +/- 3 000 and 70 350 +/- 7 000 M(-1) were measured for supramolecular complexes 2 subset of 3 and 2 subset of 4 respectively The coordination ability of these supra molecular P N bidentate ligands with K(2)PtCl(4) as a platinum precursor in water was demonstrated by NMR measurements While phosphorus coordination on the platinum occurred rapidly at room temperature heating the solution at 60 degrees C was required in order to access a kappa(2) P N coordination mode Complexes [kappa(2) P N Pt(2 subset of 3)Cl(2)] (5) and [kappa(2) P N Pt(2 subset of 4)Cl(2)] (6) were obtained quantitatively Similarly complexes [kappa(2) P N Rh(2 subset of 3)(acac)(CO)] (7) and [kappa(2) P N Rh(2 subset of 4)(acac)(CO)] (8) were synthesized by addition of an aqueous solution of 2 subset of 3 and 2 subset of 4 respectively on the Rh(CO)(2)(acac) rhodium precursor (acac = acetylacetonate) No variation in their (1)H NMR spectra could be detected from 20 to 80 degrees C suggesting that these supramolecular P N chelate complexes are structure invariant over the temperature range

  DOI：

  10.1021/om100583p
• 作为产物：
  描述：

  二乙胺 、 mono-6-deoxy-6-(p-toluenesulfonyl)-β-cyclodextrin 反应 96.0h， 以71.55%的产率得到mono-(6-deoxy-6-(N,N-diethylamino))-β-cyclodextrin
  参考文献：
  名称：

  Remote loading of curcumin-in-modified β-cyclodextrins into liposomes using a transmembrane pH gradient

  摘要：

  当前研究提供了一种新颖的远程装载方法，利用化学修饰的环糊精将疏水药物纳入脂质体中。

  DOI：

  10.1039/c9ra07560g