4-cyano-4'-(trans-4-pentylcyclohexyl)-1,1'-biphenyl | 70711-80-7

• 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-cyano-4'-(trans-4-pentylcyclohexyl)-1,1'-biphenyl
• 英文别名: 4'-(trans-4-pentylcyclohexyl)-4-cyanobiphenyl；4-(4-(4-pentylcyclohexyl)phenyl)benzonitrile；4'-(4-pentylcyclohexyl)-4-cyanobiphenyl；4'-(Trans-4-pentylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile；4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile
• CAS: 70711-80-7
• 化学式: C₂₄H₂₉N
• 分子量: 331.501
• InChiKey: QKEBUASRTJNJJS-UHFFFAOYSA-N

物化性质

• 沸点：
  479.2±34.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-cyano-4'-(trans-4-pentylcyclohexyl)-1,1'-biphenyl 在 氢氧化钾 、 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 二乙二醇 为溶剂， 反应 12.0h， 生成 4'-(trans-4-Pentylcyclohexyl)-4-biphenylcarboxylic acid chloride
  参考文献：
  名称：

  Griesar; Soto-Bustamante; Haase, Zeitschrift fur Naturforschung, B: Chemical Sciences, 2000, vol. 55, # 7, p. 567 - 575

  摘要：

  DOI：
• 作为产物：
  描述：

  4'-(trans-4-Pentylcyclohexyl)-4-biphenylcarboxylic acid chloride 在 氯化亚砜 、 氨 作用下， 以 水 为溶剂， 生成 4-cyano-4'-(trans-4-pentylcyclohexyl)-1,1'-biphenyl
  参考文献：
  名称：

  Zhibin, Li; Zhongwei, An; Yuanyang, Zheng, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 5, p. 520

  摘要：

  DOI：

文献信息

• Direct Carbon Isotope Exchange of Pharmaceuticals via Reversible Decyanation
  作者：Minghao Feng、Joao De Oliveira、Antoine Sallustrau、Gianluca Destro、Pierre Thuéry、Sebastien Roy、Thibault Cantat、Charles S. Elmore、Jorg Blankenstein、Frédéric Taran、Davide Audisio

  DOI：10.1021/jacs.1c01923

  日期：2021.4.21

  described. By utilizing the radiolabeled precursor Zn([14C]CN)2, this protocol allows the insertion of the desired carbon tag without the need for structural modifications, in a single step. By reducing synthetic costs and limiting the generation of radioactive waste, this procedure will facilitate the labeling of nitrile containing drugs and accelerate 14C-based ADME studies supporting drug development

  碳 14 的加入可以追踪有机分子并提供有关其命运的重要知识。这些信息对于药物开发、作物科学和人类食品安全评估至关重要。在此，描述了一种能够在芳腈上进行碳同位素交换的过渡金属催化过程。通过利用放射性标记的前体 Zn([ 14 C]CN) 2，该协议允许在一个步骤中插入所需的碳标签，而无需进行结构修改。通过降低合成成本和限制放射性废物的产生，该程序将促进含腈药物的标记，并加速支持药物开发的基于14 C 的 ADME 研究。
• Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device
  申请人：Goto Yasuyuki

  公开号：US20080075891A1

  公开（公告）日：2008-03-27

  A liquid crystal compound selected from a group of compounds represented by formula (a): wherein Ra and Rb are each independently alkyl having 1 to 10 carbons, alkoxy having 1 to 9 carbons, alkoxyalkyl having 2 to 9 carbons, alkenyl having 2 to 10 carbons, alkenyloxy having 2 to 9 carbons, fluoroalkyl having 1 to 10 carbons or fluoroalkoxy having 1 to 9 carbons; ring A 1 , ring A 2 and ring A 3 are each independently trans-1,4-cyclohexylene, trans-1,3-dioxane-2,5-diyl, trans-tetrahydropyran-2,5-diyl, 1,4-phenylene, 2-fluoro-1,4-phenylene, 2,3-difluoro-1,4-phenylene, 2,5-difluoro-1,4-phenylene, 2,6-difluoro-1,4-phenylene, pyridine-2,5-diyl, 6-fluoropyridine-2,5-diyl or pyridazine-2,5-diyl; Z 1 , Z 2 and Z 3 are each independently a single bond, —(CH 2 ) 2 —, —CH═CH—, —C≡C—, —CH 2 O, —OCH 2 —, —COO—, —OCO—, —OCF 2 —, —CF 2 O—, —CH 2 CH 2 OCF 2 — or —CF 2 OCH 2 CH 2 —; l, m and n are each independently 0, 1 or 2, provided that l+m+n is 0, 1, 2 or 3; one of X 1 and X 2 is fluorine, and the other is chlorine; Q is and atoms comprising the compound each may be an isotope thereof.

  从由式（a）表示的化合物组中选择的液晶化合物： 其中Ra和Rb分别独立地是具有1至10个碳的烷基，具有1至9个碳的烷氧基，具有2至9个碳的烷氧基烷基，具有2至10个碳的烯基，具有2至9个碳的烯氧基，具有1至10个碳的氟烷基或具有1至9个碳的氟烷氧基；环A1，环A2和环A3分别独立地是反式-1,4-环己烷基，反式-1,3-二噁烷-2,5-二基，反式-四氢吡喃-2,5-二基，1,4-苯基，2-氟-1,4-苯基，2,3-二氟-1,4-苯基，2,5-二氟-1,4-苯基，2,6-二氟-1,4-苯基，吡啶-2,5-二基，6-氟吡啶-2,5-二基或吡啶并嗪-2,5-二基；Z1，Z2和Z3分别独立地是单键，—(CH2)—，—CH═CH—，—C≡C—，—CH2O，—OCH2—，—COO—，—OCO—，—OCF2—，—CF2O—，—CH2CH2OCF2—或—CF2OCH2CH2—；l，m和n分别独立地为0，1或2，前提是l+m+n为0，1，2或3；X1和X2中的一个是氟，另一个是氯；Q是 化合物中的原子均可是其同位素。
• NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION
  申请人：KONDOU TOMOYUKI

  公开号：US20070051919A1

  公开（公告）日：2007-03-08

  A liquid crystal (LC) compound having generally required physical properties, low viscosity, proper optical anisotropy, proper dielectric anisotropy and good compatibility with other LC compounds is described. An LC composition including the compound and an LCD device including the composition are also described. The compound is expressed by formula (1a): wherein the ring A 1 and the ring A 2 are independently 1,4-phenylene, pyridine-2,5-diyl, pyrimidine-2,5-diyl or naphthalene-2,6-diyl, in which any hydrogen can be replaced by halogen; Z 1 , Z 2 and Z 3 are independently a single bond, —(CH 2 ) 2 —, —(CH 2 ) 4 —, —CH═CH—, —C≡C—, —CF 2 O—, —OCF 2 —, —COO— or —OCO—; X a , X b , X c , X d , X e and X f are independently hydrogen or fluorine; Y is —OCH 2 F, —OCHF 2 , —OCF 3 , —SCH 2 F, —SCHF 2 , —SCF 3 , —CH 2 F, —CHF 2 , —CF 3 , fluorine or chlorine; L a and L b are independently hydrogen or fluorine; and “l” and “m” are independently equal to 0 or 1.

  描述了一种具有通常所需物理性质、低粘度、适当的光学各向异性、适当的介电各向异性以及与其他液晶化合物良好兼容性的液晶（LC）化合物。还描述了包括该化合物的LC组合物和包括该组合物的LCD装置。该化合物由式（1a）表示： 其中环A1和环A2分别为1,4-苯撑基、吡啶-2,5-二基、嘧啶-2,5-二基或萘-2,6-二基，其中任何氢可以被卤素取代；Z1、Z2和Z3分别为单键、—(CH2)—、—(CH2)4—、—CH═CH—、—C≡C—、—CF2O—、—OCF2—、—COO—或—OCO—；Xa、Xb、Xc、Xd、Xe和Xf分别为氢或氟；Y为—OCH2F、—OCHF2、—OCF3、—SCH2F、—SCHF2、—SCF3、—CH2F、—CHF2、—CF3、氟或氯；La和Lb分别为氢或氟；“l”和“m”分别独立地等于0或1。
• Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device
  申请人：Fujita Atsuko

  公开号：US20060131541A1

  公开（公告）日：2006-06-22

  A dihydrocoumarin ring-containing compound of the invention is represented by the following formula (1): wherein R represents hydrogen or an alkyl; A 1 to A 3 each represents 1,4-cyclohexylene or 1,4-phenylene; Z 1 to Z 3 each represents a single bond, —(CH 2 ) 2 —, —CH 2 O—, —OCH 2 —, —CF 2 O—, —OCF 2 —, —CH═CH—, —CF═CF—, —C≡C—, —(CH 2 ) 4 —, —O(CH 2 ) 2 O—, —(CH 2 ) 2 CF 2 O—, —(CH 2 ) 2 OCF 2 —, —CF 2 O(CH 2 ) 2 —, —OCF 2 (CH 2 ) 2 —, —CH═CH—CH 2 O—, or —OCH 2 —CH═CH—; X represents hydrogen, fluorine, chlorine, —CN, —CF 3 , —CHF 2 , —CH 2 F, —OCF 3 , —OCHF 2 , or —OCH 2 F; G represents oxygen or sulfur; and n and m each represents 0, 1, or 2.

  发明中包含二氢香豆素环的化合物由以下式（1）表示：其中R代表氢或烷基；A1到A3分别代表1,4-环己烯基或1,4-苯基；Z1到Z3分别代表单键，—(CH2)2—，—CH2O—，—OCH2—，—CF2O—，—OCF2—，—CH═CH—，—CF═CF—，—C≡C—，—(CH2)4—，—O(CH2)2O—，—(CH2)2CF2O—，—(CH2)2OCF2—，—CF2O(CH2)2—，—OCF2(CH2)2—，—CH═CH—CH2O—，或—OCH2—CH═CH—；X代表氢，氟，氯，—CN，—CF3，—CHF2，—CH2F，—OCF3，—OCHF2，或—OCH2F；G代表氧或硫；n和m分别代表0、1或2。
• PHOTO RESPONSIVE MATERIAL AND OPTICAL DEVICE
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：US20170166814A1

  公开（公告）日：2017-06-15

  An optical device is provided, which includes a first transparent substrate, a second transparent substrate, and a liquid-crystal material disposed between the first transparent substrate and the second transparent substrate. The liquid-crystal material includes a photo responsive material with a chemical structure of: wherein A 1 is A 2 and A 3 are independently X is halogen. R is H, C 1-12 alkyl group, or C 1-12 alkoxy group. R′ is C 1-12 alkyl group.

  提供了一种光学器件，包括第一透明基板、第二透明基板和安置在第一透明基板和第二透明基板之间的液晶材料。液晶材料包括具有以下化学结构的光响应材料：其中A1是A2和A3是独立的，X是卤素。R是氢、C1-12烷基基团或C1-12烷氧基团。R′是C1-12烷基基团。