5-ethynyl-2-(3-hydroxy-3-methyl-1-butynyl)thiophene | 740810-56-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-ethynyl-2-(3-hydroxy-3-methyl-1-butynyl)thiophene
• 英文别名: 4-(5-Ethynylthiophen-2-yl)-2-methylbut-3-yn-2-ol
• CAS: 740810-56-4
• 化学式: C₁₁H₁₀OS
• 分子量: 190.266
• InChiKey: WCXOPERHPNINNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-ethynyl-2-(3-hydroxy-3-methyl-1-butynyl)thiophene 在 四(三苯基膦)钯 copper(l) iodide 、 四丁基氟化铵 、 二乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 26.0h， 生成 4-[5-((E)-4-{5-[(E)-4-(5-Ethynyl-thiophen-2-ylethynyl)-3-propyl-hept-3-en-1-ynyl]-thiophen-2-ylethynyl}-3-propyl-hept-3-en-1-ynyl)-thiophen-2-yl]-2-methyl-but-3-yn-2-ol
  参考文献：
  名称：

  在骨架上交替显示具有强烈荧光发射的具有芳香族和二烯炔单元的共轭低聚物。

  摘要：

  描述了在主链上交替具有芳环如苯，吡啶和噻吩和二烯炔单元的π-共轭化合物的合成和荧光性质。

  DOI：

  10.1021/ol049277k
• 作为产物：
  描述：

  5-(3-hydroxy-3-methyl-1-butynyl)-2-[(triisopropylsilyl)ethynyl]thiophene 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以66%的产率得到5-ethynyl-2-(3-hydroxy-3-methyl-1-butynyl)thiophene
  参考文献：
  名称：

  在骨架上交替显示具有强烈荧光发射的具有芳香族和二烯炔单元的共轭低聚物。

  摘要：

  描述了在主链上交替具有芳环如苯，吡啶和噻吩和二烯炔单元的π-共轭化合物的合成和荧光性质。

  DOI：

  10.1021/ol049277k

文献信息

• Molecular Wires Based on Thienylethynylene:  Synthesis, Photophysical Properties, and Excited-State Lifetime
  作者：Jin-Liang Wang、Zheng-Ming Tang、Qi Xiao、Qi-Feng Zhou、Yuguo Ma、Jian Pei

  DOI：10.1021/ol702467u

  日期：2008.1.1

  A series of pi-conjugated molecular wires based on thienylethynylene units have been developed to understand the effect of the molecular structures on their photophysical properties. The investigation of their photophysical properties indicates that the formation of aggregates at the ground state is effectively suppressed by the incorporation of truxene units. The excited-state lifetimes are observed to be biexponential for these molecular wires.
• -Conjugated aromatic ring-containing compound and organic electroluminescent device
  申请人：Sato Fumie

  公开号：US20070176164A1

  公开（公告）日：2007-08-02

  A π-conjugated aromatic ring-containing compound represented by the formula (1) below is relatively stable and useful as a light-emitting material for light from blue-violet region to red region. [In the formula, R 1 -R 6 independently represent a hydrogen atom or the like; A and D independently represent a pyridine ring, pyrimidine ring, pyridazine ring, pyrazine ring, furan ring, pyrrole ring, pyrazole ring, imidazole ring, thiophene ring, benzothiadiazole ring, thieno[3,4-b]pyrazine ring, furo[3,4-b]pyrazine ring, 6H-pyrrolo[3,4-b]pyrazine ring or the like; a 1 , a 2 and a 3 independently represent 0 or 1; and n 1 and n 2 independently represent an integer of 1-5.]
• US7914905B2
  申请人：——

  公开号：US7914905B2

  公开（公告）日：2011-03-29
• Synthesis of Conjugated Oligomers Having Aromatic and Enediyne Units Alternately in the Backbone that Show Intense Fluorescence Emission
  作者：Yuuki Nakano、Kenichi Ishizuka、Kenji Muraoka、Hiroyuki Ohtani、Yuuki Takayama、Fumie Sato

  DOI：10.1021/ol049277k

  日期：2004.7.1

  [structure: see text] Synthesis and fluorescence properties of pi-conjugated compounds having alternately an aromatic ring such as benzene, pyridine, and thiophene and an enediyne unit in the backbone are described.

  描述了在主链上交替具有芳环如苯，吡啶和噻吩和二烯炔单元的π-共轭化合物的合成和荧光性质。