Trifluoro-methanesulfonic acid 4-[1,3-dimethyl-1-(4-trifluoromethanesulfonyloxy-phenyl)-butyl]-phenyl ester | 173315-00-9

• 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: Trifluoro-methanesulfonic acid 4-[1,3-dimethyl-1-(4-trifluoromethanesulfonyloxy-phenyl)-butyl]-phenyl ester
• 英文别名: [4-[4-Methyl-2-[4-(trifluoromethylsulfonyloxy)phenyl]pentan-2-yl]phenyl] trifluoromethanesulfonate；[4-[4-methyl-2-[4-(trifluoromethylsulfonyloxy)phenyl]pentan-2-yl]phenyl] trifluoromethanesulfonate
• CAS: 173315-00-9
• 化学式: C₂₀H₂₀F₆O₆S₂
• 分子量: 534.498
• InChiKey: LLTXLEDNQYGNDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  Trifluoro-methanesulfonic acid 4-[1,3-dimethyl-1-(4-trifluoromethanesulfonyloxy-phenyl)-butyl]-phenyl ester 在 palladium on activated charcoal 氢氧化钾 、 (PPh₃)PdCl₂ 、 2-氯-1-甲基吡啶碘化物 、 氢气 、 三乙胺 、 lithium chloride 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 25.0~70.0 ℃ 、4.05 MPa 条件下， 反应 34.0h， 生成 20-Butoxy-2-methyl-2-(2-methylpropyl)-10,30,39,40,41-pentazahexacyclo[32.2.2.23,6.111,15.118,22.125,29]tritetraconta-1(36),3(43),4,6(42),11,13,15(41),18,20,22(40),25(39),26,28,34,37-pentadecaen-16,23-diyne-9,31-dione
  参考文献：
  名称：

  Molecular Recognition of .beta.-Ribofuranosides by Synthetic Polypyridine-Macrocyclic Receptors

  摘要：

  Artificial ribofuranoside receptors were designed and synthesized. The design of the polypyridine-macrocyclic receptors was based on the multipoint hydrogen bond complementarity between the receptors and methyl beta-D-ribofuranoside. The binding affinity of the receptors for the ribofuranoside in CDCl3 was very high (up to K-a = 5.2 x 10(3) M(-1)), so that even native ribose was extracted by them into such nonpolar solvents. Selective extraction of ribose by the receptors\was observed: the extractabilities, or affinities to the receptors of various pentoses and hexoses decreased in the following order: ribose > deoxyribose congruent to lxyose congruent to xylose > fructose > arabinose > glucose congruent to mannose congruent to galactose. The selectivity is governed by the OH direction and the whole size of the sugars as well as their shapes. Furthermore, fluorescence emission of the receptors was largely enhanced in the presence of methyl beta-D-ribofuranoside or ribose, and the degree for the fluorescence enhancement by the addition of various sugars was almost compatible with that of the extractabilities. The polypyridine-macrocycles represent rationally designed multifunctional artificial receptors for ribofuranosides.

  DOI：

  10.1021/ja00155a006
• 作为产物：
  描述：

  三氟甲磺酸酐 、 4,4'-(1,3-二甲基亚丁基)二苯酚 在 吡啶 作用下， 反应 25.0h， 以93%的产率得到Trifluoro-methanesulfonic acid 4-[1,3-dimethyl-1-(4-trifluoromethanesulfonyloxy-phenyl)-butyl]-phenyl ester
  参考文献：
  名称：

  Molecular Recognition of .beta.-Ribofuranosides by Synthetic Polypyridine-Macrocyclic Receptors

  摘要：

  Artificial ribofuranoside receptors were designed and synthesized. The design of the polypyridine-macrocyclic receptors was based on the multipoint hydrogen bond complementarity between the receptors and methyl beta-D-ribofuranoside. The binding affinity of the receptors for the ribofuranoside in CDCl3 was very high (up to K-a = 5.2 x 10(3) M(-1)), so that even native ribose was extracted by them into such nonpolar solvents. Selective extraction of ribose by the receptors\was observed: the extractabilities, or affinities to the receptors of various pentoses and hexoses decreased in the following order: ribose > deoxyribose congruent to lxyose congruent to xylose > fructose > arabinose > glucose congruent to mannose congruent to galactose. The selectivity is governed by the OH direction and the whole size of the sugars as well as their shapes. Furthermore, fluorescence emission of the receptors was largely enhanced in the presence of methyl beta-D-ribofuranoside or ribose, and the degree for the fluorescence enhancement by the addition of various sugars was almost compatible with that of the extractabilities. The polypyridine-macrocycles represent rationally designed multifunctional artificial receptors for ribofuranosides.

  DOI：

  10.1021/ja00155a006

文献信息

• POLYMER, AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Mitsubishi Chemical Corporation

  公开号：EP2818495B1

  公开（公告）日：2017-05-03
• ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE
  申请人：IIDA Koichiro

  公开号：US20130200337A1

  公开（公告）日：2013-08-08

  The present invention relates to a polymer comprising a repeating unit represented by the specific general formula (1) and a cross-linkable group.
• POLYMER AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：US20150041797A1

  公开（公告）日：2015-02-12

  The present invention relates to a polymer comprising a repeating unit containing a specific partial structure and a repeating unit containing a crosslinking group, a composition for an organic electroluminescent element comprising the polymer, and an organic electroluminescent element comprising an organic layer formed using the composition for an organic electroluminescent element by a wet film formation method.
• US9299933B2
  申请人：——

  公开号：US9299933B2

  公开（公告）日：2016-03-29
• US9349961B2
  申请人：——

  公开号：US9349961B2

  公开（公告）日：2016-05-24