2,6-bis(4-(oct-1-ynyl)-1H-pyrazol-1-yl)isonicotinic acid | 1369968-49-9

• 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: 2,6-bis(4-(oct-1-ynyl)-1H-pyrazol-1-yl)isonicotinic acid
• 英文别名: 2,6-Bis(4-oct-1-ynylpyrazol-1-yl)pyridine-4-carboxylic acid
• CAS: 1369968-49-9
• 化学式: C₂₈H₃₃N₅O₂
• 分子量: 471.602
• InChiKey: XHXAVZIBCVLTTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,6-bis(4-(oct-1-ynyl)-1H-pyrazol-1-yl)isonicotinic acid 在 四(三苯基膦)钯 、 sodium azide 、 草酰氯 、 碘 、 sodium carbonate 、 potassium carbonate 、 potassium iodide 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 丙酮 、 苯 为溶剂， 反应 114.0h， 生成 1,1',1'',1'''-(1,1',1'',1'''-(4,4'-(1,4-phenylene)bis(pyridine-6,4,2-triyl))tetrakis(1H-pyrazole-4,1-diyl))tetraoctan-1-one
  参考文献：
  名称：

  Micropatterning of Metallopolymers: Syntheses of Back-to-Back Coupled Octylated 2,6-Bis(pyrazolyl)pyridine Ligands and Their Solution-Processable Coordination Polymers

  摘要：

  This paper presents a 10-step synthetic route for the preparation of a series of new back-to-back coupled 2,6-bis(pyrazol-l-yl)pyridine (bpp) ligands (L0-L3) decorated with tetraoctyl chains. Ligand L1 self-assembles with Zn2+ ion to form a highly soluble metallo-supramolecular polymer 1 with M-n similar to 9600 g/mol. To demonstrate the processability of polymer 1, by following a "top-down" approach periodic one-dimensional fluorescent microstripes were fabricated on a silica substrate.

  DOI：

  10.1021/jo300050m
• 作为产物：
  描述：

  ethyl 2',6'-bis(4,4''-iodopyrazol-1,1''-yl)isonicotinate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 50.0h， 生成 2,6-bis(4-(oct-1-ynyl)-1H-pyrazol-1-yl)isonicotinic acid
  参考文献：
  名称：

  Micropatterning of Metallopolymers: Syntheses of Back-to-Back Coupled Octylated 2,6-Bis(pyrazolyl)pyridine Ligands and Their Solution-Processable Coordination Polymers

  摘要：

  This paper presents a 10-step synthetic route for the preparation of a series of new back-to-back coupled 2,6-bis(pyrazol-l-yl)pyridine (bpp) ligands (L0-L3) decorated with tetraoctyl chains. Ligand L1 self-assembles with Zn2+ ion to form a highly soluble metallo-supramolecular polymer 1 with M-n similar to 9600 g/mol. To demonstrate the processability of polymer 1, by following a "top-down" approach periodic one-dimensional fluorescent microstripes were fabricated on a silica substrate.

  DOI：

  10.1021/jo300050m

文献信息

• Micropatterning of Metallopolymers: Syntheses of Back-to-Back Coupled Octylated 2,6-Bis(pyrazolyl)pyridine Ligands and Their Solution-Processable Coordination Polymers
  作者：Supratim Basak、Pramiti Hui、Sathyanarayana Boodida、Rajadurai Chandrasekar

  DOI：10.1021/jo300050m

  日期：2012.4.6

  This paper presents a 10-step synthetic route for the preparation of a series of new back-to-back coupled 2,6-bis(pyrazol-l-yl)pyridine (bpp) ligands (L0-L3) decorated with tetraoctyl chains. Ligand L1 self-assembles with Zn2+ ion to form a highly soluble metallo-supramolecular polymer 1 with M-n similar to 9600 g/mol. To demonstrate the processability of polymer 1, by following a "top-down" approach periodic one-dimensional fluorescent microstripes were fabricated on a silica substrate.