1,3-propanediyl di-4-pyridine carboxylate | 497822-73-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3-propanediyl di-4-pyridine carboxylate
• 英文别名: Propane-1,3-diyl diisonicotinate；3-(pyridine-4-carbonyloxy)propyl pyridine-4-carboxylate
• CAS: 497822-73-8
• 化学式: C₁₅H₁₄N₂O₄
• 分子量: 286.287
• InChiKey: YABJWPRHENNPMX-UHFFFAOYSA-N

物化性质

• 沸点：
  455.8±30.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  五羰基溴铼(I) 、 1,3-propanediyl di-4-pyridine carboxylate 以 甲苯 为溶剂， 反应 16.0h， 以51%的产率得到[Re(CO)₃Br(μ-prdp)]₂
  参考文献：
  名称：

  Synthesis, characterisation and cytotoxicity evaluation of rhenium(I) based ester functionalised dinuclear metallacyclophanes

  摘要：

  Self-assembly of four components has resulted into the formation of M2L2 type dinuclear metallacyclophanes [Re(CO)(3)Br(mu-L)](2)(1-5), using flexible ester functionalised organic spacers and metal precursor containing fac-Re(CO)(3) corners. The dinuclear metallacyclophanes were synthesized from ReBr(CO) 5 and ditopic pyridyl ligands (L) (L etdp, prdp, budp, pedp and hedp). The self-assembled compounds 1-5 were characterised by elemental analysis, IR, NMR, absorption and emission spectroscopic techniques. Molecular structure of 1 and 2 have been characterised by single crystal X-ray diffraction methods and the molecular masses of 3-5 were evaluated by ESI-MS. Cytotoxicity studies of metallacyclophanes 1, 3 and 5 on six different cancer and normal cells revealed that the metallacyclophanes selectively inhibit certain cancer cells. Especially, compound 5 showed broad-spectrum inhibitory activities in five cancer cells tested with low IC50 value comparable to a reference compound (cisplatin). The anticancer activity of compound 5 is attributed to the induction of early apoptosis. Hence, this class of compounds forms potential anticancer agents. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.025
• 作为产物：
  描述：

  氯化异氰盐酸盐 、 1,3-丙二醇 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到1,3-propanediyl di-4-pyridine carboxylate
  参考文献：
  名称：

  柔性超分子金属环系综的自组装：纳米多孔晶体框架的结构和吸附性能

  摘要：

  报道了六种新型超分子金属环的合成、结构和 N2 吸附性能。利用酯键合成了具有系统变化的长度和构象自由度的灵活双位接头 1-4。它们与 (dppp)M(OTf)2 结合使用，其中 M = Pt(II) 和 Pd(II)，以及 cis-(Me3P)2Pt(OTf)2 以形成 88-5-10 的柔性超分子金属环98% 的分离产率。它们的结构通过多核 NMR 和 X 射线晶体学表征。金属环堆叠形成结晶状态的多孔结构。孔尺寸取决于附着在金属上的磷配体和柔性接头。对多孔材料的吸附研究表明，5a、6、8 和 9 在 77 K 时分别保持 11.7、16.5、5.7 和 6.8 cm3/g STP 的 N2。

  DOI：

  10.1021/ja0388919

文献信息

• [EN] ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF<br/>[FR] REVÊTEMENTS ANTIMICROBIENS ET PROCÉDÉS DE FABRICATION ET D'UTILISATION DE CES REVÊTEMENTS
  申请人：GEORGIA TECH RES INST

  公开号：WO2017210347A1

  公开（公告）日：2017-12-07

  Disclosed are antimicrobial articles and surfaces, as well as methods of making such articles and surfaces.

  本发明涉及抗微生物物品和表面，以及制造这些物品和表面的方法。
• Antimicrobial coatings and methods of making and using thereof
  申请人：GEORGIA TECH RESEARCH CORPORATION

  公开号：US11241014B2

  公开（公告）日：2022-02-08

  Disclosed are antimicrobial articles and surfaces, as well as methods of making such articles and surfaces.

  所公开的是抗菌物品和表面，以及制造这些物品和表面的方法。
• A novel double-stranded staircase Cu(I)-iodide coordination polymer based on bis(4-pyridyl-carboxylate) ligand with flexible propyl spacer
  作者：Javier Vallejos、Iván Brito、Alejandro Cárdenas、Michael Bolte、Jaime Llanos、Matías López-Rodríguez

  DOI：10.1016/j.inoche.2012.07.036

  日期：2012.10

  A novel supramolecular Cu(I) complex Cu2I2L}(n) (L: propane-1,3-diyl bis-(4-pyridine-carboxylate)) (1) has been prepared by self-assembly reaction of CuI and the flexible ligand (L) using an acetonitrile and acetonitrile/water (4:1) and mixture respectively, in presence of an excess of KI. X-ray diffraction analyses revealed that (1) is one-dimensional coordination polymer with double-stranded staircase motif. The structure was also characterized by i.r. spectroscopy, and thermogravimetry. In the solid state at room temperature, the compound exhibits orange phosphorescence with emission maxima at 590 nm. (C) 2012 Elsevier B.V. All rights reserved.
• Polycations and Methods of Making and Using Thereof
  申请人：Georgia Tech Research Corporation

  公开号：US20180030165A1

  公开（公告）日：2018-02-01

  Disclosed are polycationic polymers. The polycationic polymers can include a plurality of positively charged centers, each of which is formed by condensation of cyclic bis-electrophile (e.g., a 9-thia/aza/selenabicyclo[3.3.1]nonyl electrophile) with a nucleophile. The resulting polycationic polymers can efficiently bind nucleic acids. The polycations can also exhibit properties of cytotoxicity and DNA transfection with interesting structure-activity characteristics.
• ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF
  申请人：GEORGIA TECH RESEARCH CORPORATION

  公开号：US20200281205A1

  公开（公告）日：2020-09-10

  Disclosed are antimicrobial articles and surfaces, as well as methods of making such articles and surfaces.