4-(4-丁氧基苯基)-2-甲基丁-3-炔-2-醇 | 168832-34-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(4-丁氧基苯基)-2-甲基丁-3-炔-2-醇
• 英文名称: 4-(4-Butoxy-phenyl)-2-methyl-but-3-yn-2-ol
• 英文别名: 4-(4-butoxyphenyl)-2-methylbut-3-yn-2-ol
• CAS: 168832-34-6
• 化学式: C₁₅H₂₀O₂
• 分子量: 232.323
• InChiKey: WCTRCMLZBFNDAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-(4-丁氧基苯基)-2-甲基丁-3-炔-2-醇 在 氢氧化钾 、 四(三苯基膦)钯 、 正丁基锂 、 calcium carbonate 、 zinc(II) chloride 作用下， 以 四氢呋喃 、 氯仿 、 水 、 甲苯 为溶剂， 反应 43.0h， 生成 1-(4-butyloxyphenyl)-2-(3,5-difluoro-4-isothiocyanato phenyl) ethyne
  参考文献：
  名称：

  High Birefringence Nematic Liquid Crystals for Display and Telecom Applications

  摘要：

  Several compounds with high birefringence and having tolane structure were synthesized. For a high polarizability, isothiocyanato (NCS) terminal group was introduced. Another goal of this study was reduction of melting point and smectic phases by introduction of fluorine as lateral substituent. The transition temperatures for all the synthesized compounds and the refractive and dielectric indices for one of the compounds have been determined. Electro-optic (EO) measurements were also performed.

  DOI：

  10.1080/15421400490434829
• 作为产物：
  描述：

  4-碘苯酚 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 4-(4-丁氧基苯基)-2-甲基丁-3-炔-2-醇
  参考文献：
  名称：

  含吩嗪稠合的三苯并延圆盘状液晶染料的烷基和烷氧基苯基乙炔的合成，同构性质和非线性光学研究

  摘要：

  在本文中，我们报道了通过三亚苯基1,2-二醌与1,2-二氨基-4,5-二溴苯的缩合反应获得的含吩嗪稠合的亚苯基盘状液晶（DLC）的烷基和烷氧基苯基乙炔。 Sonogashira CC与4-烷基-苯基乙炔或4-烷氧基-苯基乙炔的偶联反应。合成了六种新型衍生物，并对其热和光学性质进行了评估。它们显示出广泛的六方柱状相，并在从各向同性液体冷却后将其中间相保持到室温。通过偏振光学显微镜（POM），差示扫描量热法（DSC）研究了所有化合物的热致液晶性质。通过X射线衍射（XRD）研究了中间相结构的自组装。所有介晶的热重分析表明，它在很宽的温度范围内都具有良好的热稳定性。在无水氯仿溶剂中使用UV-Vis吸收和光致发光发射光谱法测量了新合成化合物的光物理性质。这些介晶中的π扩展共轭表现出强吸收带，分别在270-487 nm左右下降，并在657-663 nm处具有相应的发射带。当在532 nm的纳秒激光脉冲

  DOI：

  10.1016/j.dyepig.2018.07.052

文献信息

• Synthesis and Mesomorphic Properties of Some Fluoro-Substituted Benzoates
  作者：Y. G. Yang、G. Tang、Z. Gong、J. X. Wen

  DOI：10.1080/10587250008024803

  日期：2000.8.1

  Several series of fluoro-substituted benzoate liquid crystals have been synthesized. The results showed that the SmA phase is enhanced with the increasing of the degree of fluoro-substitution on the para- and meta-postion of the terminal phenyl groups. And the molecules which have same molecular structural formula show nearly the same melting points. It is also discussed about the effect of the eater bond's direction on the mesomorphic properties.
• Synthesis and Mesomorphic Properties of Some Fluorinated Benzoate Liquid Crystals
  作者：Y. G. Yang、H. Chen、G. Tang、J. X. Wen

  DOI：10.1080/10587250210534

  日期：2002.1.1

  Three series of [4-(4'-n-alkyloxyphenyl)acetylenyl]-2,6-difluorophenyl fluorinated benezoates and one series of fluorinated benzoates with 2,3,5,6-tetrafluorophenylene group and semi-perfluorocarbon chain have been synthesized. Their phase transition temperatures have been measured by texture observation in a polarizing microscope and confirmed by DSC. For the series without fluorocarbon chains, increasing the quantity of fluorosubstituents on the terminal phenyl groups decreased nematic stability (TN-1), but the breadth of the SmA phase range was increased. Lateral fluorosubstitution in the central group lowered the nematic stability (TN-1) and decreased the breadth of the SmA phase range. The series with semiperfluorocarbon chains were more likely to form SmA phases than the series with hydrogencarbon chains, and with the increasing of fluorosubstituents quantity on the terminal phenyl groups nematic and SmA stability (T(N-)1 and TSmA-N) were both decreased.