二苄基4-(苄氧基)-2,6-吡啶二羧酸酯 | 99097-41-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 二苄基4-(苄氧基)-2,6-吡啶二羧酸酯
• 英文名称: Dibenzyl 4-(benzyloxy)-2,6-pyridinedicarboxylate
• 英文别名: Bis(phenylmethyl) 4-(phenylmethoxy)-2,6-pyridinedicarboxylate；dibenzyl 4-phenylmethoxypyridine-2,6-dicarboxylate
• CAS: 99097-41-3
• 化学式: C₂₈H₂₃NO₅
• 分子量: 453.494
• InChiKey: AFWHDMQYPNLENS-UHFFFAOYSA-N

物化性质

• 熔点：
  85-85.5 °C
• 沸点：
  634.7±50.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  74.7
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  二苄基4-(苄氧基)-2,6-吡啶二羧酸酯 在 氢氧化钾 、 N,O-双三甲硅基乙酰胺 、 氨 、 溴 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 22.0h， 生成 4-Benzyloxy-2,6-bis(N-tert-butoxycarbonyl-L-phenylalaninylamino)pyridine
  参考文献：
  名称：

  Identification of Sequence Selective Receptors for Peptides with a Carboxylic Acid Terminus

  摘要：

  Split-and-mix libraries of resin-bound "tweezer" receptors have been prepared and screened to identify receptors for dye-labelled tripeptides. The receptors incorporate a diamidopyridine unit to serve as a specific recognition site for the CO2H group, leading to strong and selective receptors for peptide guests with a CO2H terminus. The role of the dye-label, attached to the peptide guest to allow visualisation of selective recognition events in the screening experiments, has also been examined and was found to have a significant influence on the binding selectivities.

  DOI：

  10.1002/1521-3765(20010504)7:9<1889::aid-chem1889>3.0.co;2-7
• 作为产物：
  描述：

  4-氯-2,6-吡啶二羰基二氯 、 苯甲醇钠 以 苯甲醇 为溶剂， 反应 12.0h， 以50%的产率得到二苄基4-(苄氧基)-2,6-吡啶二羧酸酯
  参考文献：
  名称：

  Proton-ionizable crown compounds. 2. Synthesis, complexation properties, and structural studies of macrocyclic polyether-diester ligands containing a 4-hydroxypyridine subcyclic unit

  摘要：

  DOI：

  10.1021/jo00224a043

文献信息

• A well-defined unimolecular channel facilitates chloride transport
  作者：Sujun Chen、Yongliang Zhao、Chunyan Bao、Yaowu Zhou、Chenxi Wang、Qiuning Lin、Linyong Zhu

  DOI：10.1039/c7cc09200h

  日期：——

  with a new type of rigid-rod oligomer. The macrocycle pendant endows chloride selectivity and the fluorescence feature and suitable length of the rod facilitates the visual insertion of channels into the lipid bilayer, resulting in efficient ion transport with an EC50 value of 0.36 μM.

  通过使用新型刚性杆低聚物进行功能化，优化了单分子离子通道。大环悬垂物赋予氯化物选择性，荧光特征和杆的合适长度有利于将通道视觉插入脂质双层，从而产生有效的离子转运，EC 50值为0.36μM。
• Glassy dynamics of hydrogen-bonded heteroditopic molecules
  作者：Nan Lou、YangYang Wang、Haixia Li、Alexei P. Sokolov、Huiming Xiong

  DOI：10.1016/j.polymer.2012.07.052

  日期：2012.9

  A self-complementary heteroditopic molecule composed of thymine and diamidopyridine end groups and a flexible aliphatic interconnecting chain has been synthesized. The glassy dynamics of this hydrogen-bonded supramolecule have been investigated by using dielectric and rheological measurements, in combination with infra-red spectroscopy and solid-state C-13 NMR experiments. Decoupling of main dielectric relaxation from viscosity has been found in the vicinity of the glass transition and the temperature dependence of viscosity appears to be stronger than that of dielectric relaxation. The unusual dynamic decoupling phenomenon is ascribed to the chemical/dynamic heterogeneity and formation of hydrogen bonds in the supramolecules. (C) 2012 Elsevier Ltd. All rights reserved.
• Identification of Sequence-Selective Receptors for Peptides with a Carboxylic Acid Terminus
  作者：Thilo Fessmann、Jeremy D. Kilburn

  DOI：10.1002/(sici)1521-3773(19990712)38:13/14<1993::aid-anie1993>3.0.co;2-h

  日期：1999.7.12

  A combinatorial library of "tweezer" receptors, which incorporate a diamidopyridine unit to provide a specific binding site for a CO2H group (see picture), can be screened to identify sequence-selective receptors for chosen peptide guests with a CO2H terminus.
• Benzo condensed crown ethers containing 1,8-naphthyridine or 4-pyridone units - synthesis and complex formation with organic guest molecules
  作者：E. Weber、H.-J. K�hler

  DOI：10.1002/prac.19953370198

  日期：——

  New crown compounds 3-5 comprising beside o-phenylene groups 1,8-naphthyridine or 4-pyridone groups as characteristic building units are synthesized. They form numerous stoichiometric crystalline complexes with uncharged organic molecules including alcohols, nitro compounds and other dipolar-aprotic solvents, as well as cyclic ethers and aromatic hydrocarbons. Properties of complex formation and host-guest stoichiometries are discussed making a comparison with parent host analogues.
• BRADSHAW, J. S.;COLTER, M. L.;NAKATSUJI, Y.;SPENCER, N. O.;BROWN, M. F.;I+, J. ORG. CHEM., 1985, 50, N 24, 4865-4872
  作者：BRADSHAW, J. S.、COLTER, M. L.、NAKATSUJI, Y.、SPENCER, N. O.、BROWN, M. F.、I+

  DOI：——

  日期：——