4-n-octyloxy-4'-acetylbiphenyl | 56117-34-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-n-octyloxy-4'-acetylbiphenyl
• 英文别名: 4-acetyl-4'-octoxybiphenyl；1-(4'-(octyloxy)-[1,1'-biphenyl]-4-yl)ethan-1-one；4-Acetyl-4'-n-octyloxybiphenyl；4-octyloxybiphenyl-4'-carboxylate；1-(4'-octyloxy-biphenyl-4-yl)-ethanone；1-[4-(4-octoxyphenyl)phenyl]ethanone
• CAS: 56117-34-1
• 化学式: C₂₂H₂₈O₂
• 分子量: 324.463
• InChiKey: SHFQYSOBHYYRBO-UHFFFAOYSA-N

物化性质

• 熔点：
  134-136 °C
• 沸点：
  454.5±28.0 °C(Predicted)
• 密度：
  0.995±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-n-octyloxy-4'-acetylbiphenyl 在 吗啉 、 4-二甲氨基吡啶 、 三甲基硅乙酸酯 、 ammonium acetate 、 sulfur 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 24.0h， 生成 2-{4-[2-(4-dodecyloxy-phenyl)-vinyl]-benzoylamino}-4-(4'-octyloxy-biphenyl-4-yl)-thiophene-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis and study of new rod-like mesogens containing 2-aminothiophene unit

  摘要：

  We present a synthesis and mesomorphic properties of a new series of rod-like mesogens. All the compounds possess a substituted 2-aminothiophene unit as a main element in the structure attached to a stilbene moiety with a terminal alkyloxy chain (OR1, OR2 where R-1=CnH2n+1, R-2=CmH2m+1; n, m ranging from 6 to 12). The synthesis of alkyloxybiphenyl substituted 2-aminothiophenes was carried out by the Gewald reaction and the appropriate reaction conditions were investigated. The liquid-crystalline properties were studied via polarizing optical microscopy, differential scanning calorimetry and X-ray diffraction. These materials exhibit nematic and/or smectic A phases. The influence of structural changes (variation in alkyloxy chain length and symmetry of the molecule) on mesogenic behaviour is discussed. Evaluation of UV-vis, fluorescent and electrochemical properties are also included. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.075
• 作为产物：
  描述：

  氰基联苯酚 在 potassium carbonate 、 magnesium 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 55.67h， 生成 4-n-octyloxy-4'-acetylbiphenyl
  参考文献：
  名称：

  Synthesis and study of new rod-like mesogens containing 2-aminothiophene unit

  摘要：

  We present a synthesis and mesomorphic properties of a new series of rod-like mesogens. All the compounds possess a substituted 2-aminothiophene unit as a main element in the structure attached to a stilbene moiety with a terminal alkyloxy chain (OR1, OR2 where R-1=CnH2n+1, R-2=CmH2m+1; n, m ranging from 6 to 12). The synthesis of alkyloxybiphenyl substituted 2-aminothiophenes was carried out by the Gewald reaction and the appropriate reaction conditions were investigated. The liquid-crystalline properties were studied via polarizing optical microscopy, differential scanning calorimetry and X-ray diffraction. These materials exhibit nematic and/or smectic A phases. The influence of structural changes (variation in alkyloxy chain length and symmetry of the molecule) on mesogenic behaviour is discussed. Evaluation of UV-vis, fluorescent and electrochemical properties are also included. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.075

文献信息

• Liquid crystalline dihydroazulene photoswitches
  作者：Anne Ugleholdt Petersen、Martyn Jevric、Richard J. Mandle、Edward J. Davis、Stephen J. Cowling、John W. Goodby、Mogens Brøndsted Nielsen

  DOI：10.1039/c5ra18649h

  日期：——

  A large selection of photochromic dihydroazulene (DHA) molecules incorporating various substituents at position 2 of the DHA core was prepared and investigated for their ability to form liquid crystalline phases. Incorporation of an octyloxy-substituted biphenyl substituent resulted in nematic phase behavior and it was possible to convert one such compound partly into its vinylheptafulvene (VHF) isomer

  制备了大量在DHA核的2位掺入各种取代基的光致变色二氢氮杂（DHA）分子，并研究了它们形成液晶相的能力。辛氧基取代的联苯取代基的引入导致向列相行为，并且当在液晶相中被光照射时，可以将一种这样的化合物部分地转化为其乙烯基庚二烯（VHF）异构体。该转化导致相的分子排列增加。随着时间的流逝，亚稳定的VHF返回到DHA，并在此处保持对齐。系统的结构变化表明，DHA和烷基链之间需要一个联芳基间隔基，以实现液晶性，并且该间隔基中的一个芳环不能被三唑取代。
• Liquid crystalline ester compounds and mixtures thereof
  申请人：Chisso Corporation

  公开号：US04834907A1

  公开（公告）日：1989-05-30

  Novel chiral smectic liquid crystalline ester compounds having a superior stability and exhibiting a high response rate when used in the form of display elements and chiral smectic mixtures containing at least one of these compounds are provided, which compounds are expressed by the formula ##STR1## wherein n is an integer of 2 to 16; l is 0, 1 or 2; m is 1 or 2 under the condition of l+m.gtoreq.2; X represents methylene group --CH.sub.2 -- or single bond when l is zero, methylene group --CH.sub.2 -- or ether linkage --O-- when l=1 or ether linkage --O-- when l=2; and Y represents R, OR, --COR, --OCOR, --OCOOR or --COOR wherein R throughout represents an alkyl group of 1 to 18 carbon atoms; and asterisk * shows an optically active carbon atom.

  提供了具有优越稳定性并在显示元件中以及手性液晶混合物中使用时表现出高响应速率的新型手性液晶酯化合物，其中这些化合物由公式##STR1##表示，其中n是2到16的整数；l为0、1或2；在l+m≥2的条件下，m为1或2；当l为零时，X表示亚甲基基--CH.sub.2--或单键，当l=1时，X表示亚甲基基--CH.sub.2--或醚键--O--，当l=2时，X表示醚键--O--；Y表示R、OR、--COR、--OCOR、--OCOOR或--COOR，其中R表示1到18个碳原子的烷基；星号*表示一个光学活性碳原子。
• NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS
  申请人：Metcalf, III Chester A.

  公开号：US20140073558A1

  公开（公告）日：2014-03-13

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及一种新型的脂肽化合物，以及这些化合物的药物组合物和将这些化合物用作抗菌化合物的方法。本发明中的化合物特别适用于对抗各种细菌，包括抗药性菌株。这些化合物可用作抗Clostridium difficile的抗菌剂。
• DOSING REGIMENS FOR ECHINOCANDIN CLASS COMPOUNDS
  申请人：CIDARA THERAPEUTICS, INC.

  公开号：EP3677252A1

  公开（公告）日：2020-07-08

  The invention features pharmaceutical compositions, methods, and kits featuring dosing gimens and oral dosage formulations for administration of echinocandin class compounds.

  本发明的特点是药物组合物、方法和试剂盒，具有给药剂量和口服剂型，用于给药棘白菌素类化合物。
• Ohta, K.; Takenaka, O.; Hasebe, H., Molecular Crystals and Liquid Crystals (1969-1991), 1991, vol. 195, p. 123 - 133
  作者：Ohta, K.、Takenaka, O.、Hasebe, H.、Morizumi, Y.、Fujimoto, T.、Yamamoto, I.

  DOI：——

  日期：——