6-ethoxycarbonyl-4,7-di(p-methylphenyl)-1,2,5-oxadiazolo<3,4-c>pyridine | 225795-71-1

• 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: 6-ethoxycarbonyl-4,7-di(p-methylphenyl)-1,2,5-oxadiazolo<3,4-c>pyridine
• 英文别名: Ethyl 4,7-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate；ethyl 4,7-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate
• CAS: 225795-71-1
• 化学式: C₂₂H₁₉N₃O₃
• 分子量: 373.411
• InChiKey: JZOSGRFXWNEUMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  78.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-ethoxycarbonyl-4,7-di(p-methylphenyl)-1,2,5-oxadiazolo<3,4-c>pyridine 在 PPA 作用下， 反应 24.0h， 以37%的产率得到12-methyl-7-(p-methylphenyl)-10-oxo-indeno<1,2-b>-1,2,5-oxadiazolo<3,4-d>pyridine
  参考文献：
  名称：

  10-Hydroxy-7-arylindeno[1,2-b]-1,2,5-oxadiazolo[3,4-d]pyridines and 7-Aryl-10-oxoindeno[1,2-b]-1,2,5-oxadiazolo[3,4-d]pyridines— Synthesis, Spectra, and Polymorphism

  摘要：

  The novel dyes 7-aryl-10-oxoindeno[1,2-b]-1,2,5-oxadiazolo[3,4-d]pyridines (4) and 7-aryl-10-hydroxyindeno[1,2-b]-1,2,5-oxadiazolo[3,4-d]pyridines (5) have been prepared from acetophenone derivatives. While compounds (4) exhibit a dark red color, they are only weakly fluorescent Compounds (5) is fluorescent. Of interest is that 10-hydroxy-7-phenylindeno-[1,2-b]-1,2,5-oxadiazolo[3,4-d] pyridine (5a) can take four polymorphic forms in the solid state, of which two are yellow (designated as 5a-Y-1 and 5a-Y-2) and two are red (5a-R-1 and 5a-R-2). Two of them are interconvertible (yellow/red) upon exposure to different solvents. X-Ray crystal structure analysis of 5a-R-2 shows the phenyl ring and the indenooxadiazolopyridine ring to be coplanar.

  DOI：

  10.3987/com-98-s(h)88
• 作为产物：
  描述：

  3,4-bis(p-methylbenzoyl)-1,2,5-oxadiazole-N-oxide 在 乙酸酐 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 正丁醇 为溶剂， 反应 27.5h， 生成 6-ethoxycarbonyl-4,7-di(p-methylphenyl)-1,2,5-oxadiazolo<3,4-c>pyridine
  参考文献：
  名称：

  10-Hydroxy-7-arylindeno[1,2-b]-1,2,5-oxadiazolo[3,4-d]pyridines and 7-Aryl-10-oxoindeno[1,2-b]-1,2,5-oxadiazolo[3,4-d]pyridines— Synthesis, Spectra, and Polymorphism

  摘要：

  The novel dyes 7-aryl-10-oxoindeno[1,2-b]-1,2,5-oxadiazolo[3,4-d]pyridines (4) and 7-aryl-10-hydroxyindeno[1,2-b]-1,2,5-oxadiazolo[3,4-d]pyridines (5) have been prepared from acetophenone derivatives. While compounds (4) exhibit a dark red color, they are only weakly fluorescent Compounds (5) is fluorescent. Of interest is that 10-hydroxy-7-phenylindeno-[1,2-b]-1,2,5-oxadiazolo[3,4-d] pyridine (5a) can take four polymorphic forms in the solid state, of which two are yellow (designated as 5a-Y-1 and 5a-Y-2) and two are red (5a-R-1 and 5a-R-2). Two of them are interconvertible (yellow/red) upon exposure to different solvents. X-Ray crystal structure analysis of 5a-R-2 shows the phenyl ring and the indenooxadiazolopyridine ring to be coplanar.

  DOI：

  10.3987/com-98-s(h)88

文献信息

• ALKOXYSILYL GROUP-CONTAINING ORGANIC EL DYE AND A METHOD FOR PRODUCING THE SAME
  申请人：Shinichiro

  公开号：US20170313885A1

  公开（公告）日：2017-11-02

  Provided is an alkoxysilyl group-containing organic EL dye that can be used for the production of fluorescent silica particles that do not fade. This alkoxysilyl group-containing organic EL dye is represented by the general formula X—Y-Q-Z—Si(R 1 ) n (OR 2 ) 3-n , wherein X is an organic EL dye, Y is a direct bond or —(CH 2 ) p — (p represents an integer from 1 to 10) or —(O—CH 2 CH 2 ) q — (q represents an integer from 1 to 10), Q is a bond selected from the group consisting of amide bond, ether bond, thioether bond, thioester bond, thiourea bond, disulfide bond, and polyoxyethylene bond, Z is —(CH 2 ) 3 — or —(CH 2 ) 2 NH(CH 2 ) 3 —, R 1 and R 2 represent an alkyl group having 1 to 7 carbon atoms, and n represents 0 or 1.

  提供一种含有烷氧基硅基团的有机EL染料，可用于制备不会褪色的荧光二氧化硅微粒。这种含有烷氧基硅基团的有机EL染料由通式X—Y-Q-Z—Si(R1)n(OR2)3-n表示，其中X是有机EL染料，Y是直接键或—(CH2)p—（p代表1到10的整数）或—(O— )q—（q代表1到10的整数），Q是选择自酰胺键、醚键、硫醚键、硫酯键、硫脲键、二硫键和聚氧乙烯键的一种键，Z是—( )3—或—( )2NH( )3—，R1和R2代表具有1至7个碳原子的烷基，n代表0或1。
• FLUORESCENT DYE
  申请人：Isobe Shinichiro

  公开号：US20140206872A1

  公开（公告）日：2014-07-24

  There is provided a fluorescent dye which can improve the fluorescent intensity at the time of labeling to thereby detect a biomolecule with higher sensitivity. The fluorescent dye of the present invention includes a nitrogen cation-containing group or a nitrogen-containing group. Its high water solubility can improve the rate of labeling for a biomolecule to thereby detect a biomolecule with high sensitivity.

  提供了一种荧光染料，可以在标记时提高荧光强度，从而以更高的灵敏度检测生物分子。本发明的荧光染料包括含氮阳离子基团或含氮基团。其高水溶性可以提高生物分子的标记速率，从而以高灵敏度检测生物分子。
• US9091692B2
  申请人：——

  公开号：US9091692B2

  公开（公告）日：2015-07-28