4-(己氧基)-4’-联苯基羧酸 | 59748-16-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(己氧基)-4’-联苯基羧酸
• 中文别名: 4-(己氧基)-4'-联苯基羧酸
• 英文名称: 4'-n-hexyloxybiphenyl-4-carboxylic acid
• 英文别名: 4-(4-hexyloxyphenyl)benzoic acid；4'-hexyloxybiphenyl-4-carboxylic acid；4-(Hexyloxy)-4'-biphenylcarboxylic acid；4-(4-hexoxyphenyl)benzoic acid
• CAS: 59748-16-2
• 化学式: C₁₉H₂₂O₃
• mdl: MFCD00600486
• 分子量: 298.382
• InChiKey: IWWNTISKHOYKAN-UHFFFAOYSA-N

物化性质

• 熔点：
  212.8-213.5 °C
• 沸点：
  460.5±38.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  避免接触水和氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4-(己氧基)-4’-联苯基羧酸 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到[4-(4-Hexoxyphenyl)phenyl]methanol
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Muraymycin Analogues Active against Anti-Drug-Resistant Bacteria

  摘要：

  Muraymycin analogues with a lipophilic substituent were synthesized using an Ugi four-component assemblage. This approach provides ready access to a range of analogues simply by altering the aldehyde component. The impact of the lipophilic substituent on the antibacterial activity was very large, and analogues 7b-e and 8b-e exhibited good activity against a range of Gram;positive bacterial pathogens including methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus faecium. This study also showed that the accessory urea-dipeptide motif contributes to MraY inhibitory and antibacterial activity. The knowledge obtained from our structure activity relationship study of muraymycins provides further direction toward the design of potent MraY inhibitors. This study has set the stage for the generation of novel antibacterial "lead" compounds based on muraymycins.

  DOI：

  10.1021/ml100057z
• 作为产物：
  描述：

  4'-羟基联苯-4-羧酸 在 sodium hydroxide 、 硫酸 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 4-(己氧基)-4’-联苯基羧酸
  参考文献：
  名称：

  Mesomorphic trigonal bipyramidal iron(0) isocyanide complexes

  摘要：

  三个系列异氰酸酯及其三叉双锥铁(0)配合物[Fe(CO)4(CNR)]（R = C6H4O(O)CC6H4C6H4OCnH2n + 1、1, C6H4C6H4OCnH2n + 1, C6H4C6H4O(O)CC6H4OCnH2n + 1, n = 6, 8, 10, 12）。游离的异氰酸酯在较短链（n = 6、8）上表现出向列和/或共晶 A 相，而在较长链上则仅表现出共晶 A 相，只有异氰酸酯 CNC6H4O(O)CC6H4C6H4OCnH2n + 1 除外，它们在熔化时会发生大量分解，不会产生介相。它们配位生成的铁络合物 [Fe(CO)4(CNR)] 的转变温度略有降低。所制备的异氰化铁络合物只显示出一个呈胶状的 C 相。本文讨论了络合物分子结构与其热行为之间的关系。

  DOI：

  10.1039/a910347n

文献信息

• Bent-shaped liquid crystal dimers. Influence of the direction of the oxybiphenylenecarboxyl groups on their mesomorphic behavior
  作者：Claudia M. Hegguilustoy、Rosana S. Montani、María B. Darda、Pablo G. Del Rosso、Raúl O. Garay

  DOI：10.3998/ark.5550190.0012.724

  日期：——

  In order to study what role the direction of the whole mesogenic groups play on their mesomorphic behavior we synthesized a series of bent-shaped dimers in which the mesogens differ in their relative orientation along the long molecular axis of the dimers. A tilted anticlinic smectic mesophase is presented exclusively by the dimer where the mesogens are tethered in a head-to-head fashion. The head-to-tail

  为了研究整个介晶基团的方向对其介晶行为的作用，我们合成了一系列弯曲形状的二聚体，其中介晶沿二聚体的长分子轴的相对取向不同。倾斜的背斜近晶中间相仅由二聚体呈现，其中介晶以头对头的方式束缚。介晶的头对尾和尾对尾组织排除了任何种类的中间相形成。二聚体的介晶行为通过偏振光学显微镜、差示扫描量热法和计算技术的组合表征。
• Physico-Chemical Properties of New Liquid Crystals Incorporating a Benzofuran-2-one Skeleton
  作者：Yuki Morita、Fusheng Zhang、Takeyasu Tasaka、Remuto Yamaguchi、Hiroaki Okamoto、Shunsuke Takenaka

  DOI：10.1246/bcsj.79.163

  日期：2006.1

  The liquid crystal properties of 3H-2-oxobenzofuran-6-yl 4-(n-CnH2n+1O)benzoates (1-n, n = 5–12), 4′-(n-CnH2n+1O)biphenyl-4-carboxylates (2-n, n = 6–10), and 4-(n-CnH2n+1)benzoates (3-n, n = 4–6) are described. The n = 5–8 homologues of 1-n exhibit a nematic (N) phase, and the n = 8–12 homologues exhibit a smectic A (SmA) phase, where the layer spacing is ca. 1.3 times of the calculated molecular length. The homologues of 2-n show a complex phase-transition behavior involving a smectic C (SmC), two kinds of SmA, reentrant nematic, and N phases, where the SmC phase is exhibited by the n = 6–8 homologues. The layer spacings of SmA phases formed at high and low temperature regions correspond to 1.3 and 1.0 times of the molecular lengths, respectively. The polar interactions around the terminal lactone moiety are assumed to play important roles for the complex polymesomorphism and diversity of the smectic layer structure.

  3H-2-氧代苯并呋喃-6-基4-(n-CnH2n+1O)苯甲酸酯（1-n，n = 5–12）、4′-(n-CnH2n+1O)联苯-4-羧酸盐（2-n，n = 6–10）和4-(n-CnH2n+1)苯甲酸酯（3-n，n = 4–6）的液晶性质被描述。1-n 的 n = 5–8 homologues 展现出向列相（N），而 n = 8–12 的 homologues 则表现出 smectic A（SmA）相，其层间距约为计算分子长度的 1.3 倍。2-n 的 homologues 显示出复杂的相变行为，涉及 smectic C（SmC）、两种 SmA、回温向列相和 N 相，其中 n = 6–8 的 homologues 显示出 SmC 相。在高温和低温区域形成的 SmA 相的层间距分别对应于分子长度的 1.3 倍和 1.0 倍。假设端基内酯官能团周围的极性相互作用在复杂的多晶相变和层结构多样性中起着重要作用。
• Designing banana-shaped liquid crystals without Schiff's base units: m-terphenyls, 2,6-diphenylpyridines and V-shaped tolane derivatives
  作者：Dong Shen、Siegmar Diele、Gerhard Pelzl、Ina Wirth、Carsten Tschierske

  DOI：10.1039/a808275h

  日期：——

  This paper reports attempts to obtain (anti)ferroelectric switchable achiral banana-shaped molecules without Schiff's base units. For this purpose we have synthesized novel V-shaped molecules consisting of rigid angular central units [1,3-disubstituted benzene, 2,7-disubstituted naphthalene, 1,3-diphenylbenzene, 2,6-diphenylnitrobenzene, 2,6-diphenylpyridine, 1,3-bis(phenylethynyl)benzene, 1-phenyl-3-(phenylethynyl)benzene] connected via ester linkages to two rigid cores (1,4-disubstituted benzenes, biphenyls, 2-phenylpyrimidines, phenylbenzoates). Most compounds have rather high melting points. Only molecules with seven aromatic rings show liquid crystalline properties. Two-dimensional modulated smectic phases (rectangular columnar phases) were found for molecules with phenylbenzoate rigid units. Intercalated fluid smectic phases were detected for the corresponding 2-phenylpyrimidine derivatives. For the first time in the case of banana-shaped molecules a nematic phase was observed for a 2′-nitro-m-terphenyl-4,4″-diyl bisbenzoate. However, none of the synthesized compounds exhibit the typical texture of the (anti)ferroelectric switchable mesophases, known from the Schiff's base derivatives.

  这篇论文报告了在没有施夫碱单元的情况下，获得可切换的反铁电和铁电非手性香蕉形状分子的尝试。为此，我们合成了新型的V形分子，这些分子由刚性角形中心单元（1,3-二取代苯、2,7-二取代萘、1,3-二苯基苯、2,6-二苯基硝基苯、2,6-二苯基吡啶、1,3-双（苯乙炔）苯、1-苯基-3-（苯乙炔）苯）通过酯连接物连接至两个刚性核心（1,4-二取代苯、联苯、2-苯基吡啶、苯基苯甲酸酯）。大多数化合物的熔点相当高。只有七个芳香环的分子显示出液晶特性。具有苯基苯甲酸酯刚性单元的分子观察到二维调制的层状相（矩形柱状相）。相应的2-苯基吡啶衍生物检测到了夹层流体层状相。在香蕉形状分子的情况下，首次观察到2′-硝基-m-三苯基-4,4″-二苯甲酸酯的涡旋相。然而，合成的化合物中没有任何显示出施夫碱衍生物所知的典型（反）铁电可切换介相的纹理。
• 아이소소바이드 유도체, 액정 조성물, 액정 소자 및 액정 표시 장치
  申请人：SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 가부시키가이샤 한도오따이 에네루기 켄큐쇼(519980839048)

  公开号：KR20150015418A

  公开（公告）日：2015-02-10

  본 발명은 다양한 액정 표시 장치에 적용하는 것이 가능한 신규 액정 조성물용 재료를 제공한다. 일반식(G2)으로 나타내어지는 신규 아이소소바이드 유도체를 제공한다. 일반식(G2)에서, Ar, Ar, Ar, 및 Ar는 각각 독립적으로, 치환 또는 비치환된 탄소수 6~12의 아릴렌기, 치환 또는 비치환된 탄소수 3~12의 사이클로알킬렌기, 또는 치환 또는 비치환된 탄소수 4~12의 사이클로알케닐렌기를 나타내고, l, k, m, 및 n은 각각 독립적으로 0~3을 나타낸다. 또한, R 및 R은 각각 독립적으로 산소, 단결합, 또는 치환 또는 비치환된 탄소수 1~12의 알킬렌기를 나타낸다. R 및 R는 각각 독립적으로 수소, 산소, 치환 또는 비치환된 탄소수 1~12의 알킬기, 또는 치환 또는 비치환된 탄소수 1~12의 알콕시기를 나타낸다.

  本发明提供了一种可以应用于各种液晶显示器件的新型液晶配方材料。该配方提供了一种表示为一般式(G2)的新型异硫氮杂环化合物。在一般式(G2)中，Ar，Ar，Ar和Ar分别独立地表示取代或未取代的含有6~12个碳原子的芳基，取代或未取代的含有3~12个碳原子的环烷基，或取代或未取代的含有4~12个碳原子的环烷烯基，l，k，m和n分别独立地表示0~3。此外，R和R分别独立地表示氧、单键或含有1~12个碳原子的取代或未取代的烷基。R和R分别独立地表示氢、氧、含有1~12个碳原子的取代或未取代的烷基，或含有1~12个碳原子的取代或未取代的醇基。
• Modulated SmA_bphases formed by anchor shaped liquid crystalline molecules
  作者：Karina Geese、Marko Prehm、Carsten Tschierske

  DOI：10.1039/c4cc03059a

  日期：——

  Bent-core molecules with a linear alkyl chain in the bay position (anchor shaped molecules) form new liquid crystalline phases combining periodicities with different coherence lengths in distinct directions; in these LC phases the molecules are organized on average orthogonal in modulated layers (ribbons or patches) with restricted rotation around the long axis, thus representing modulated SmAb phases.

  具有线性烷基链的弯曲核分子（锚形分子）在海湾位置形成新的液晶相，这些液晶相在不同方向上具有不同的相干长度；在这些液晶相中，分子平均正交排列成调制层（带状或斑块状），围绕长轴的旋转受到限制，因此代表了调制的 SmAb 相。