4-(trans-4-n-pentylcyclohexyl)phenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(trans-4-n-pentylcyclohexyl)phenol
• 英文别名: 4-(trans-4'-n-pentylcyclohexyl)phenol；p-(trans-4-n-pentylcyclohexyl)phenol；4-(trans-4-pentyl-cyclohexyl)phenol；4-(trans-4-pentylcyclohexyl)phenol；p-(trans-4-pentylcyclohexyl)phenol；trans-4-(4-pentylcyclohexyl)phenol
• 化学式: C₁₇H₂₆O
• 分子量: 246.393
• InChiKey: QRAZRBGYBYIGRL-SHTZXODSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-(trans-4-n-pentylcyclohexyl)phenol 在 吡啶 、 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 生成 5-[4-(4-Pentyl-cyclohexyl)-phenyl]-benzofuran-2-carboxylic acid
  参考文献：
  名称：

  摘要：

  The synthesis and transition temperatures are reported for several 2-(4-alkyl- and 4-alkoxy-phenyl)-5-cyano-1-benzofurans, 2-(4'-alkylbiphenyl-4-yl)-5-cyano- and 5-(4'-alkylbiphenyl-4-yl)-2-cyano-1-benzofurans, and for compounds with other combinations of terminal alkyl and cyano groups in 2,5-disubstituted-1-benzofurans containing two phenyl units; some isolated examples of related cyclohexane systems are also presented. The mesogenic behaviour of these compounds and several intermediates (e.g. amides, acids and esters) is discussed and the transition temperatures are rationalised on the following basis (a) 1-benzofuran is a superior core unit to benzene, (b) 2,5-disubstitution in 1-benzofuran gives a bent core which adversely affects mesogenicity, to an extent which depends on its position in the core, (c) antiparallel associations in terminal cyano compounds can eliminate the disadvantage of a bent core structure, (d) 2-aryl-1-benzofurans have negligible inter-annular twist but 5-aryl-1-benzofurans have similar inter-annular twist to that in biphenyls.

  DOI：

  10.1039/b102837p
• 作为产物：
  描述：

  trans-4-(4-n-Pentylcyclohexyl)benzoic acid 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙腈 为溶剂， 反应 16.0h， 生成 4-(trans-4-n-pentylcyclohexyl)phenol
  参考文献：
  名称：

  苯甲酸的脱羧羟基化

  摘要：

  在此，报道了第一个由苯甲酸合成苯酚的脱羧羟基化反应。该方法克服了与传统苯甲酸脱羧相关的挑战，甚至可以应用于后期功能化。

  DOI：

  10.1002/anie.202108971

文献信息

• Liquid crystals
  申请人：Hoffmann La Roche Inc.

  公开号：US05238602A1

  公开（公告）日：1993-08-24

  Compounds of the formula ##STR1## wherein n stands for the number 0 or 1; the rings A.sup.1, A.sup.2 and A.sup.3 represent 1,4-phenylene, 2-fluoro-1,4-phenylene or trans-1,4-cyclohexylene or one of these rings also represents a 2,5-disubstituted pyrimidine ring or a trans-2,5-disubstituted m-dioxane ring; X.sup.1 represents a single covalent bond, --COO--, --OOC--, --CH.sub.2 CH.sub.2 --, p--C.sub.6 H.sub.4 --, --CH.sub.2 CH.sub.2 --p-- C.sub.6 H.sub.4 --, --CH.sub.2 CH.sub.2 --p--C.sub.6 H.sub.4 --CH.sub.2 CH.sub.2 -- or, insofar as the rings A.sup.1 and A.sup.2 represent 1,4-phenylene, also --NON--; R.sup.2 represents 1E-alkenyl, 2Z-alkenyl, 3E-alkenyl, 4-alkenyl or alkenyloxy, with the proviso that the oxygen atom in alkenyloxy is linked with a saturated carbon atom; and R.sup.1 signifies 1E-alkenyl, 2Z-alkenyl, 3E-alkenyl, 4-alkenyl or, insofar as R.sup.2 represents alkenyloxy, also alkyl, their manufacture, as well as liquid crystalline mixtures and the use for electro-optical purposes.

  公式##STR1##的化合物，其中n代表数字0或1；环A.sup.1、A.sup.2和A.sup.3代表1,4-苯基、2-氟-1,4-苯基或反式-1,4-环己基，其中一个环还代表2,5-二取代嘧啶环或反式-2,5-二取代间二氧杂环；X.sup.1代表单一共价键，--COO--, --OOC--, --CH.sub.2 CH.sub.2 --, p--C.sub.6 H.sub.4 --, --CH.sub.2 CH.sub.2 --p-- C.sub.6 H.sub.4 --, --CH.sub.2 CH.sub.2 --p--C.sub.6 H.sub.4 --CH.sub.2 CH.sub.2 --，或者，只要环A.sup.1和A.sup.2代表1,4-苯基，也代表--NON--; R.sup.2代表1E-烯基、2Z-烯基、3E-烯基、4-烯基或烯基氧基，条件是烯基氧基中的氧原子与饱和碳原子相连；R.sup.1表示1E-烯基、2Z-烯基、3E-烯基、4-烯基，或者，只要R.sup.2代表烯基氧基，也代表烷基，它们的制造，以及液晶混合物及其用于电光用途。
• Pd-Catalyzed <i>ipso</i>,<i>meta</i>-Dimethylation of <i>ortho</i>-Substituted Iodoarenes via a Base-Controlled C–H Activation Cascade with Dimethyl Carbonate as the Methyl Source
  作者：Zhuo Wu、Feng Wei、Bin Wan、Yanghui Zhang

  DOI：10.1021/jacs.0c13057

  日期：2021.3.31

  the ipso- and meta-positions of the iodo group, which represents a novel strategy for meta-C–H methylation. With KOAc as the base, subsequent oxidative C(sp3)–H/C(sp3)–H coupling occurs; in this case, the overall transformation achieves triple C–H activation to form three new C–C bonds. These reactions allow expedient access to 2,6-dimethylated phenols, 2,3-dihydrobenzofurans, and indanes, which are ubiquitous

  甲基可以对有机分子的药理特性产生深远的影响。因此，开发甲基化方法和甲基化试剂在药物化学中是必不可少的。我们报告了使用碳酸二甲酯作为甲基源的邻位取代碘芳烃的钯催化二甲基化反应。在K的存在2 CO 3作为碱，iodoarenes是在二甲基化本位以及-元的碘基团，它代表一种新颖的策略的位上的元-C-H甲基化。以 KOAc 为碱，随后的氧化 C(sp 3 )–H/C(sp 3)–H 耦合发生；在这种情况下，整体转化实现了三重 C-H 激活，形成三个新的 C-C 键。这些反应可以方便地获得 2,6-二甲基苯酚、2,3-二氢苯并呋喃和茚满，它们是普遍存在的结构基序和生物和药理活性化合物的基本合成中间体。
• Optically active compound and photosensitive resin composition
  申请人：——

  公开号：US20030211421A1

  公开（公告）日：2003-11-13

  A photoactive compound is used in combination with a photosensitizer, represented by the following formula (1): A −[( J ) m −( X-Pro )] n (1) wherein A represents a hydrophobic unit comprising at least one kind of hydrophobic groups selected from a hydrocarbon group and a heterocyclic group, J represents a connecting group, X-Pro represents a hydrophilic group protected by a protective group Pro which is removable by light exposure, m represents 0 or 1, and n represents an integer of not less than 1. The protective group Pro may be removable by light exposure in association with the photosensitizer (especially, a photo acid generator), or may be a hydrophobic protective group. The hydrophilic group may be a hydroxyl group or a carboxyl group. The photoactive compound has high sensitivity to a light source of short wavelength beams, for resist application, therefore, the photoactive compound is advantageously used for forming a pattern with high resolution.

  一种光活性化合物与光敏剂结合使用，由以下公式（1）表示： A −[( J ) m −( X-Pro )] n (1) 其中，A代表至少包括一种从烃基和杂环基中选择的疏水基的疏水单元，J代表连接基团，X-Pro代表由光照可去除的保护基团Pro保护的亲水基团，m代表0或1，n代表不少于1的整数。 保护基团Pro可以与光敏剂（特别是光酸发生剂）一起通过光照可去除，也可以是疏水保护基团。亲水基团可以是羟基或羧基。光活性化合物对短波长光源具有很高的敏感性，用于光刻应用，因此，该光活性化合物有利于形成具有高分辨率的图案。
• Nematic 2,5-disubstituted thiophenesElectronic supplementary information (ESI) available: extensive synthetic information. See http://www.rsc.org/suppdata/jm/b2/b202073b/
  作者：Neil L. Campbell、Warren L. Duffy、Gareth I. Thomas、Janine H. Wild、Stephen M. Kelly、Kevin Bartle、Mary O'Neill、Vicky Minter、Rachel P. Tuffin

  DOI：10.1039/b202073b

  日期：2002.8.30

  A large number of new liquid crystals incorporating the 2,5-disubstituted thiophene ring have been prepared and their mesomorphic behaviour studied in order to systematically investigate the correlation between the molecular structure and mesomorphism of thiophene derivatives with different shapes, polarisability and polarity. As a consequence of these investigations we have prepared a new class of liquid crystals incorporating a 2,5-disubstituted thiophene ring and a conjugated trans-carbon–carbon double bond in the terminal chain. These novel thiophene derivatives are the first liquid crystals incorporating a 2,5-disubstituted thiophene ring to exhibit a nematic phase at room temperature. This enables the flexoelectric coefficients of a bent-shaped molecule to be measured directly and at room temperature for the first time to the authors' knowledge. Many of these new thiophenes exhibit a high birefringence and a high nematic clearing point and are of potential use as components of nematic mixtures in LCDs.

  制备了大量含有2,5-二取代噻吩环的新型液晶，并研究了它们的介晶行为，以系统地探讨不同形状、极化能力和极性的噻吩衍生物的分子结构与介晶性之间的关联。通过这些研究，我们合成了一类新型液晶，它们含有2,5-二取代噻吩环和末端链中的共轭反式碳-碳双键。这些新颖的噻吩衍生物是首批在室温下表现出向列相的含有2,5-二取代噻吩环的液晶。这使得弯曲形状分子的挠曲电系数能够首次在作者所知的情况下直接在室温下测量。许多这些新型噻吩具有高双折射率和高向列相清亮点，有可能作为液晶显示器中向列相混合物的成分。
• Highly Twisted Helical Polyacetylene with Morphology Free From the Bundle of Fibrils Synthesized in Chiral Nematic Liquid Crystal Reaction Field
  作者：Munju Goh、Mutsumasa Kyotani、Kazuo Akagi

  DOI：10.1021/ja070701x

  日期：2007.7.1

  chiral binaphthyl derivatives with highly twisting powers by substituting phenylcyclohexyl (PCH) mesogenic moieties into 2,2' positions or 2,2',6,6' positions of binaphthyl rings. The di- and tetrasubstituted binaphthyl derivatives, abbreviated as D-1 and D-2, respectively, were adopted as chiral dopants to induce chiral nematic liquid crystals (N*-LCs) available for synthesis of helical polyacetylene

  我们通过将苯基环己基 (PCH) 介晶部分取代到联萘环的 2,2' 位置或 2,2',6,6' 位置，合成了具有高度扭曲能力的新型轴向手性联萘衍生物。二取代和四取代的联萘衍生物，分别缩写为 D-1 和 D-2，被用作手性掺杂剂以诱导可用于合成螺旋聚乙炔的手性向列液晶（N*-LC）。D-2 的螺旋扭曲力 (betaM) 是 449 microm(-1)，这是 ca。比 D-1 大 2.6 倍（171 microm(-1)）。我们通过将手性掺杂剂 D-1 和 D-2 分别添加到宿主 N-LC 中，制备了两种螺旋间距为 5 microm 和 270 nm 的诱导 N*-LC。在含有 D-2 的 N*-LC 中合成的螺旋聚乙炔表现出高度螺旋状的原纤维，但不是一束原纤维。这一结果与通常的原纤维形态形成鲜明对比，其中螺旋状原纤维聚集形成原纤维束，如在 N*-LC 中合成的螺旋聚乙炔中观察到的那样，其中