4-(4-nonyloxyphenyl)-2-methylbut-3-yn-2-ol | 125151-58-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-nonyloxyphenyl)-2-methylbut-3-yn-2-ol
• 英文别名: 4-(p-nonyloxyphenyl)-2-methyl-3-butyn-2-ol；2-Methyl-4-(4-nonoxyphenyl)but-3-yn-2-ol
• CAS: 125151-58-8
• 化学式: C₂₀H₃₀O₂
• 分子量: 302.457
• InChiKey: POERBUWLUVYOKY-UHFFFAOYSA-N

物化性质

• 沸点：
  419.4±30.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-nonyloxyphenyl)-2-methylbut-3-yn-2-ol 在 bis-triphenylphosphine-palladium(II) chloride 氢氧化钾 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 [2,6-Difluoro-4-[2-(4-nonoxyphenyl)ethynyl]phenyl] 3,4-difluorobenzoate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Some Fluorinated Benzoate Liquid Crystals

  摘要：

  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.

  DOI：

  10.1080/10587250210534
• 作为产物：
  描述：

  1-溴壬烷 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 氢氧化钾 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 2.0h， 生成 4-(4-nonyloxyphenyl)-2-methylbut-3-yn-2-ol
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Some Fluoro-Substituted Benzoates

  摘要：

  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.

  DOI：

  10.1080/10587250008024803

文献信息

• Chiral Tolans: A New Family of Ferroelectric Liquid Crystals. Synthesis and Mesomorphic Properties
  作者：Koji Seto、Hiroshi Shimojitosho、Hideyuki Imazaki、Hiroshi Matsubara、Shigetoshi Takahashi

  DOI：10.1246/bcsj.63.1020

  日期：1990.4

  chiral alkyl group, synthesized by a palladium-catalyzed coupling reaction, provide a new series of liquid crystalline materials which form chiral smectic C (SmC*) phases exhibiting ferroelectric properties. Mesomorphic properties of the compounds composed of three aromatic rings is strongly affected by the position of an acetylenic linkage and the direction of an ester linking unit. The effect of variations

  通过钯催化偶联反应合成的具有手性烷基的二苯乙炔同系物提供了一系列新的液晶材料，其形成具有铁电性质的手性近晶 C (SmC*) 相。由三个芳环组成的化合物的介晶性质受炔键位置和酯键单元方向的强烈影响。已经系统地研究了末端链长的变化对近晶 A (SmA) 和 SmC* 两个和三个芳环系统的热稳定性的影响。
• Buchwald protocol applied to the synthesis of N-heterotolan liquid crystals
  作者：Ursula B. Vasconcelos、Abel Schrader、Guilherme D. Vilela、Antonio C.A. Borges、Aloir A. Merlo

  DOI：10.1016/j.tet.2008.03.005

  日期：2008.5

  A homologous series of the new N-heterotolans 8a-d were synthesized using two cross-coupling reactions mediated by copper and palladium/copper. The final compounds present the phenyl-pyridyl framework connected by the acetylene group. The evaluation of thermal properties for this series is described. All compounds exhibit the smectic A and X mesophase. For comparison were also synthesized compounds 10, 12, and 14. Their LC properties are reported. (C) 2008 Elsevier Ltd. All rights reserved.
• Novel Liquid-Crystalline Mercury Acetylide Complexes
  作者：Sanjay K. Varshney、D. S. Shankar Rao、Sandeep Kumar

  DOI：10.1080/10587250108028244

  日期：2001.3.1

  Several new mercury acetylide complexes were prepared from substituted phenyl acetylenes. These are of three varieties: i) where normal or branched alkyl chains are attached to the phenyl ring directly. ii) where these chains are attached via an oxygen atom (alkoxy chains), and iii) where the phenyl ring is substituted by two or three alkoxy chains. All the alkoxy derivatives are liquid crystalline. Their mesomorphism has been examined by polarizing microscopy and differential scanning calorimetry.
• SEHTO, KODZI;SIMODZITOSE, XIROSI
  作者：SEHTO, KODZI、SIMODZITOSE, XIROSI

  DOI：——

  日期：——
• SEHTO, KODZI;SIMODZITODOKORO, XIROSI
  作者：SEHTO, KODZI、SIMODZITODOKORO, XIROSI

  DOI：——

  日期：——