4-(9-hydroxynonyloxy)benzoic acid 4-methoxyphenyl ester | 917775-27-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-(9-hydroxynonyloxy)benzoic acid 4-methoxyphenyl ester
• 英文别名: 4-Methoxyphenyl 4-[(9-hydroxynonyl)oxy]benzoate；(4-methoxyphenyl) 4-(9-hydroxynonoxy)benzoate
• CAS: 917775-27-0
• 化学式: C₂₃H₃₀O₅
• 分子量: 386.488
• InChiKey: STFKJHPOFHFJHN-UHFFFAOYSA-N

物化性质

• 沸点：
  541.4±35.0 °C(Predicted)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(9-hydroxynonyloxy)benzoic acid 4-methoxyphenyl ester 、 bicyclo[2.2.1]hept-2-ene-5-carbonyl chloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 9-[4-(4-methoxyphenoxycarbonyl)phenoxy]nonyl ester
  参考文献：
  名称：

  使用双金属引发剂通过开环复分解聚合反应合成ABA三嵌段共聚物：侧链液晶嵌段中柔性间隔基的影响

  摘要：

  合成了一系列具有侧链液晶的单体（SCLC）用于开环复分解聚合（ROMP）。所使用的液晶（LC）为4-羟基苯甲酸4-甲氧基苯基酯（MPOB -H）（已知具有向列液晶相）和联苯-4-羧酸4-（1-丁氧基羰基乙氧基）苯酯（BPP4- H），已知具有近晶相。侧链在间隔物长度，间隔物类型和LC的性质方面有所不同。使用双金属ROMP引发剂[Mo（NAr）（OCMe 3）2 CH] 2 C 6 H 4聚合单体（其中Ar = 2,6-二异丙基苯基）; 制备了均聚物和ABA型三嵌段共聚物，其中B嵌段为LC官能单体，A为甲基四环二烯（MTD）。聚合物给出单峰峰分布，多分散度<1.22。当使用烷基间隔基时，聚氧乙烯间隔基的引入将聚合物嵌段的玻璃化转变温度从+ 20℃降低到-25，Tg为T g。尽管使用MPOB时，聚氧乙烯间隔基未观察到明显的LC相，但当使用BPP4时，经由聚氧乙烯间隔基附接了硅酮，观察到明显的液

  DOI：

  10.1021/ma0613180
• 作为产物：
  描述：

  9-溴-1-壬醇 在 sodium hydride 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 4-(9-hydroxynonyloxy)benzoic acid 4-methoxyphenyl ester
  参考文献：
  名称：

  Synthesis and Physical Properties of Ferrocene Derivatives (XXV) Liquid Crystallinity of 1,3-Disubstituted Ferrocene Derivatives

  摘要：

  Liquid crystallinity of 1,3-disubstituted ferrocene derivatives was studied by DSC and polarizing microscope. The name of the derivatives is 1,3-bis[omega-[4-(4-methoxyphenoxycarbonyl)phenoxy]alkyloxycarbonyl]ferrocene. Nine members from n = 2 to 10 were synthesized (n is carbon number of alkyl chain in the sample). All samples except n = 2 and 4 exhibited monotropic nematic liquid crystalline phase. In addition, smectic X (not yet completely identified) was also observed in n = 8 and 10. Liquid crystalline phase transition phenomena were discussed from a viewpoint of molecular shape.

  DOI：

  10.1080/15421406.2011.581526

文献信息

• Synthesis and Physical Properties of Ferrocene Derivatives (XXIII) Phase Transition and Unique Molecular Structure of Monosubstituted Ferrocene Derivatives
  作者：Naotake Nakamura、Kazuya Hiro∗、Masako Nishikawa∗∗、Takashi Okabe∗∗∗、Kenjiro Uno

  DOI：10.1080/15421400903400829

  日期：2010.2.5

  The monosubstituted ferrocene derivatives, omega-[4-(4-methoxyphenoxycarbonyl) phenoxy]alkoxycarbonyl ferrocene, were synthesized in order to compare the liquid crystallinity to that of disubstituted ferrocene derivatives, 1,1'-bis[omega-[4-(4-methoxyphenoxycarbonyl) phenoxy] alkoxycarbonyl] ferrocene. Some of the monosubstituted ferrocene derivatives containing relatively longer flexible spacer showed the liquid crystalline phase, nematic and/or smectic phases. The crystal structure of 2-[4-(4-methoxyphenoxycarbonyl) phenoxy] ethoxycarbonyl ferrocene was determined by X-ray diffraction method using a single crystal. The molecular structure revealed a bent structure that is almost a half of "Z'' shaped molecular structure of 1,1'-bis[2-[4-(4-methoxyphenoxycarbonyl)phenoxy]ethoxycarbonyl]ferrocene.
• Synthesis and Physical Properties of Ferrocene Derivatives (XXV) Liquid Crystallinity of 1,3-Disubstituted Ferrocene Derivatives
  作者：Naotake Nakamura、Shinya Kagawa

  DOI：10.1080/15421406.2011.581526

  日期：2011.10.28

  Liquid crystallinity of 1,3-disubstituted ferrocene derivatives was studied by DSC and polarizing microscope. The name of the derivatives is 1,3-bis[omega-[4-(4-methoxyphenoxycarbonyl)phenoxy]alkyloxycarbonyl]ferrocene. Nine members from n = 2 to 10 were synthesized (n is carbon number of alkyl chain in the sample). All samples except n = 2 and 4 exhibited monotropic nematic liquid crystalline phase. In addition, smectic X (not yet completely identified) was also observed in n = 8 and 10. Liquid crystalline phase transition phenomena were discussed from a viewpoint of molecular shape.
• Synthesis of ABA Triblock Copolymers via Ring Opening Metathesis Polymerization Using a Bimetallic Initiator:  Influence of a Flexible Spacer in the Side Chain Liquid Crystalline Block
  作者：Rojendra Singh、Eric Verploegen、Paula T. Hammond、Richard R. Schrock

  DOI：10.1021/ma0613180

  日期：2006.11.1

  glass transition temperature of the polymer block to −25 from +20 °C, the Tg when an alkyl spacer was used. Although no distinct LC phase was observed with the polyoxyethylene spacer when MPOB was used, when BPP4 was attached via a polyoxyethylene spacer, a distinct liquid crystalline transition was observed. Polymers with an alkyl spacer exhibited liquid crystalline behavior and good phase segregation

  合成了一系列具有侧链液晶的单体（SCLC）用于开环复分解聚合（ROMP）。所使用的液晶（LC）为4-羟基苯甲酸4-甲氧基苯基酯（MPOB -H）（已知具有向列液晶相）和联苯-4-羧酸4-（1-丁氧基羰基乙氧基）苯酯（BPP4- H），已知具有近晶相。侧链在间隔物长度，间隔物类型和LC的性质方面有所不同。使用双金属ROMP引发剂[Mo（NAr）（OCMe 3）2 CH] 2 C 6 H 4聚合单体（其中Ar = 2,6-二异丙基苯基）; 制备了均聚物和ABA型三嵌段共聚物，其中B嵌段为LC官能单体，A为甲基四环二烯（MTD）。聚合物给出单峰峰分布，多分散度<1.22。当使用烷基间隔基时，聚氧乙烯间隔基的引入将聚合物嵌段的玻璃化转变温度从+ 20℃降低到-25，Tg为T g。尽管使用MPOB时，聚氧乙烯间隔基未观察到明显的LC相，但当使用BPP4时，经由聚氧乙烯间隔基附接了硅酮，观察到明显的液