4-(trans-4'-propylcyclohexyl) benzoic acid chloride | 82492-58-8

• 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'-propylcyclohexyl) benzoic acid chloride
• 英文别名: 4-(trans-4'-n-propylcyclohexyl)benzoyl chloride；4-(trans-4-Propylcyclohexyl)benzoyl chloride；4-(4-propylcyclohexyl)benzoyl chloride
• CAS: 82492-58-8
• 化学式: C₁₆H₂₁ClO
• 分子量: 264.795
• InChiKey: OEABBNGVFWXEJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(trans-4'-propylcyclohexyl) benzoic acid chloride 在 sodium hydroxide 作用下， 以 四氢呋喃 、 正庚烷 、 水 、 乙酸乙酯 为溶剂， 生成 [4-(4'-propyl-cyclohexyl)-phenyl]-methanol
  参考文献：
  名称：

  Alkenyl ether derivative and liquid crystal composition containing the

  摘要：

  提供具有低粘度、与其他液晶化合物具有良好相容性并可用于制备具有高响应速率的液晶显示元件的烯基醚衍生物，该衍生物由以下式表示：R.sub.1 --CH.sub.2 --O--(CH.sub.2)n--A.sub.1 --A.sub.2 A.sub.3 --R.sub.2[1] 其中R.sub.1是具有2-7C碳数的烯基基团，在其末端具有双键或在非末端位置具有反式构型的双键，R.sub.2是1-10C碳数的烷基基团或烷氧基，A.sub.1和A.sub.2各自独立地是1,4-苯基或反-1,4-环己基，A.sub.3代表1,4-苯基、反-1,4-环己基或单键，n为1或2。

  公开号：

  US05180519A1
• 作为产物：
  描述：

  trans-4-(4-n-propylcyclohexyl)benzoic acid 在 氯化亚砜 作用下， 生成 4-(trans-4'-propylcyclohexyl) benzoic acid chloride
  参考文献：
  名称：

  合成和磷的新颖卡宾络合物（V）表征氟化物与潜在液晶性质

  摘要：

  一系列新颖的推-推 我和推-拉 II由氧化加成difluoroamines的磷（III）卤化物，合成的磷（V）氟化物轴承与液晶性质的取代基卡宾稳定络合物。通过NMR光谱法和X射线分析这些八面体配合物进行了表征。

  DOI：

  10.1016/j.tet.2013.07.062

文献信息

• Pyrimidine derivatives and liquid crystal compositions including same
  申请人：Seiko Epson Corporation

  公开号：US05200110A1

  公开（公告）日：1993-04-06

  2-phenyl-5-(4'-trans-cyclohexyl) phenyl pyrimidine derivatives represented by the general formula: ##STR1## wherein R is a straight chain alkyl group having 1 to 10 carbon atoms; X is CN or F; Y is F or H; Z is F or H; and when X is F, at least one of Y and Z is H; and the cyclohexane ring is a trans isomer, exhibiting a nematic phase and having a high nematic phase-isotropic liquid phase transition temperature (N-I Point) and large positive dielectric constant anisotropy (.DELTA..epsilon.). The pyrimidine derivatives may be included in liquid crystal compositions for improved display devices having a wide temperature range, including a high N-I point, a low threshold voltage and a low driving voltage.

  一般式表示的2-苯基-5-(4'-反式环己基)苯基嘧啶衍生物：其中R为具有1至10个碳原子的直链烷基基团；X为CN或F；Y为F或H；Z为F或H；当X为F时，至少有一个是H；环己烷环为反异构体，表现出向列相和具有高向列相-各向同性液相转变温度（N-I点）和大正介电常数各向异性（Δε）的特性。这些嘧啶衍生物可以包含在液晶组合物中，用于改进具有广泛温度范围的显示器件，包括高N-I点、低阈值电压和低驱动电压。
• Liquid crystal mixture
  申请人：Clariant International Ltd.

  公开号：EP1184442A1

  公开（公告）日：2002-03-06

  Liquid crystal mixture containing one or several compounds of formula (I) wherein R1: is H or a linear or branched alkyl group of 1 to 20 C atoms, wherein optionally one -CH2- group being replaced by cyclohexylen-1,4-diyl, or one or two -CH2- groups optionally being replaced by -O-, if non-adjacent to N, or by -C(=O)-, -Si(CH3)2-; or one or more H optionally being replaced by F or CH3 R2:stands for a) H or F b) a linear or branched alkyl group of 1 to 20 C atoms, wherein one or two -CH2- groups optionally being replaced by -O-, -C(=O)O-, -Si(CH3)2-, or one or more H being replaced by F or CH3. c) a radical of formula (II) R3, R4, R5, R6: are independently from another an alkyl group of 1 to 8 C atoms M1, M2: represent independently a single bond, -OC(=O), -C(=O)O-, -OCH2-, -NH- A: is a) a linear or branched alkyl group of 1 to 20 C atoms, optionally, if non-adjacent to M1/2, one or two non-adjacent -CH2- groups may be replaced by -O- b) the group -C(=Y)- wherein Y is CH-Z with Z being phenylen-1,4-diyl, optionally substituted by one to three halogenatoms, alkyl or alkyloxy groups of 1 to 4 C atoms, with the proviso that M1 and M2 are -C(=O)O- and -OC(=O)-, c) the group -CHY wherein Y is CH2-Z with Z being phenylen-1,4-diyl, optionally substituted by one to three halogenatoms, alkyl or alkyloxy groups of 1 to 4 C atoms, with the proviso that M1 and M2 are -C(=O)O- and -OC(=O)-, d) a group wherein p, q are 0, 1 or 2, the sum of p + q being ≥ 1; M3 is a single bond or -OC(=O)-, -C(=O)O-, -OCH2-, -CH2O-, -C≡C-, -CH2CH2-, -CH2CH2CH2CH2 the radicals represent independently from another phenylen-1,4-diyl, optionally substitued by one, two or three F, or cyclohexan-1,4-diyl, optionally substituted by one CN, CH3 or F, or pyrimidin-2,5-diyl, optionally substituted by one F, or pyridine-2,5-diyl, optionally substituted by one F, or naphthalin-2,6-diyl, optionally substituted by one, two or three F, or (1,3,4)thiadiazol-2,5-diyl, thiophen-2,4-diyl, thiophen-2,5-diyl, (1,3)dioxan-2,5-diyl, piperidin-1,4-diyl, or piperazin-1,4-diyl X is H, OH, a linear or branched alkyl or alkyloxy group of 1 to 20 C atoms, wherein one or two -CH2- groups can be replaced by -O-, -C(=O)O-, -Si(CH3)2-, optionally one or more H being replaced by F or CH3 m: is 0 or 1 X and M1-(A)m-M2-R2 together can constitute a) a ring of 4 to 16 members, optionally substituted by an alkyl radical of 1 to 15 C atoms b) a combination of two either directly linked or spiro-linked rings of independently from another 4 to 16 members, optionally substituted by an alkyl radical of 1 to 15 C atoms in either of the three variants the rings independently from another being carbocycles or carbocycles containing B, N, O or S heteroatoms.

  含有一个或多个式(I)中的化合物的液晶混合物，其中R1：为H或1至20个C原子的线性或支链烷基，其中可选地一个-CH2-基被环己基-1,4-二基取代，或者一个或两个-CH2-基可选地被-O-取代，如果非相邻于N，则为-C（=O）-，-Si（CH3）2-;或一个或多个H可选地被F或CH3取代。R2：代表a）H或Fb）1至20个C原子的线性或支链烷基，其中一个或两个-CH2-基可选地被-O-，-C（=O）O-，-Si（CH3）2-取代，或一个或多个H被F或CH3取代。c）式（II）中的基团R3，R4，R5，R6：分别独立地是1至8个C原子的烷基M1，M2：分别独立地表示单键，-OC（=O），-C（=O）O-，-OCH2-，-NH-A：a）是1至20个C原子的线性或支链烷基，如果非相邻于M1/2，则可选地用- O-替换一个或两个非相邻的-CH2-基b）-C（=Y）-，其中Y为CH-Z，Z为苯基-1,4-二基，可选地被1至4个C原子的卤素原子，烷基或烷氧基取代，具有M1和M2为-C（=O）O-和-OC（=O）-的条件c）-CHY，其中Y为CH2-Z，Z为苯基-1,4-二基，可选地被1至4个C原子的卤素原子，烷基或烷氧基取代，具有M1和M2为-C（=O）O-和-OC（=O）-的条件d）一组，其中p，q为0,1或2，p + q的总和≥1；M3是单键或-OC（=O）-，-C（=O）O-，-OCH2-，-CH2O-，-C≡C-，-CH2CH2-，-CH2CH2CH2CH2-，基团独立地代表苯基-1,4-二基，可选地取代一个，两个或三个F，或环己基-1,4-二基，可选地取代一个CN，CH3或F，或嘧啶-2,5-二基，可选地取代一个F，或吡啶-2,5-二基，可选地取代一个F，或萘-2,6-二基，可选地取代一个，两个或三个F，或（1,3,4）噻二唑-2,5-二基，噻吩-2,4-二基，噻吩-2,5-二基，（1,3）二氧杂环戊烷-2,5-二基，哌啶-1,4-二基或哌嗪-1,4-二基X为H，OH，1至20个C原子的线性或支链烷基或烷氧基，其中一个或两个-CH2-基可被-O-，-C（=O）O-，-Si（CH3）2-取代，可选地一个或多个H被F或CH3取代m：为0或1X和M1-（A）m-M2-R2一起可以构成a）具有4至16个成员的环，可选地被1至15个C原子的烷基取代b）两个直接连接或螺旋连接的环的组合，独立地具有4至16个成员，可选地被1至15个C原子的烷基取代，在这三种变体中，环独立地为碳环或含有B，N，O或S杂原子的碳环。
• Experimental and Theoretical Studies on Cobalt-Catalyzed Regioselective Hydrosilylation of Tetrafluorinated Cyclohexa-1,3-dienes
  作者：Kento Nagai、Suguru Morishitabara、Yuji Nishi、Chihiro Kajimoto、Motohiro Yasui、Takashi Yumura、Shigeyuki Yamada、Tsutomu Konno

  DOI：10.1021/acs.orglett.3c02453

  日期：2023.9.29

  Cyclohexa-1,3-dienes bearing a tetrafluoroethylene group underwent highly regioselective hydrosilylation in the presence of 1–10 mol % Co2(CO)8 in 1,2-dichloroethane under mild conditions (reflux, 3 h), which led to an abundant yield of homoallylsilanes. Mechanistic studies proved that the reaction proceeds as per the modified Chalk-Harrod mechanism; via DFT calculation, the reason for homoallylsilanes

  带有四氟乙烯基团的环六-1,3-二烯在 1,2-二氯乙烷中存在 1–10 mol% Co 2 (CO) 8的情况下，在温和条件下（回流，3 小时）进行高度区域选择性氢化硅烷化，从而产生高产率的均烯丙基硅烷。机理研究证明该反应按照改进的Chalk-Harrod机理进行；通过DFT计算，论证了仅获得高烯丙基硅烷的原因。四氟化负型液晶的正式合成证明了这种氢化硅烷化的合成效用。
• Alkenyl ether derivatives and liquid crystal composition containing the same
  申请人：Chisso Corporation

  公开号：EP0388150A1

  公开（公告）日：1990-09-19

  Alkenyl ether derivatives having a low viscosity, a good compatibility with other liquid crystalline compounds and suitable for use in the preparation of liquid crystal display elements, have the formula: R₁-CH₂-O-(CH₂)n-A₁-A₂-A₃-R₂      (1) in which R₁ represents a C₂-C₇ alkenyl group having a double bond at its terminal position or a double bond having a trans configuration at a position other than the terminal position; R₂ represents a C₁-C₁₀ alkyl or C₁-C₁₀ alkoxy group; A₁ and A₂ are the same or are different and each represents a 1,4-phenylene or trans-1,4-cyclohexylene group, or a single bond; and n is 1 or 2.

  烯基醚衍生物粘度低，与其他液晶化合物的相容性好，适用于制备液晶显示元件，其化学式为 R₁-CH₂-O-(CH₂)n-A₁-A₂-A₃-R₂ (1) 其中 R₁ 代表在末端位置具有双键的 C₂-C₇ 烯基，或在末端位置以外的位置具有反式构型的双键；R₂ 代表 C₁-C₁₀烷基或 C₁-C₁₀烷氧基； A₁ 和 A₂ 相同或不同，且各自代表 1,4-亚苯基或反式-1,4-环己烯基团或单键；且 n 为 1 或 2。
• FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE
  申请人：CHISSO CORPORATION

  公开号：EP0820976A1

  公开（公告）日：1998-01-28

  An object of the present invention is to provide a novel liquid crystalline compound having a large dielectric anisotropy, small change in threshold voltage depending on temperature, and an improved solubility to other liquid crystal materials at low temperatures, and expressed by the following general formula (1): wherein R represents, for example, an alkyl group or alkoxy group having 1 to 10 carbon atoms, m and n are independently 0 or 1, A1, A2, and A3 are independently, for example, trans-1,4-cyclohexylene group, 1,4-phenylene group one or more hydrogen atoms on the ring of which may be replaced by F, Z1, Z2, and Z3 independently represent -COO-, -OCO-, -(CH2)2-, -CH2O-, -OCH2-, or a covalent bond provided that at least one of Z1, Z2, and Z3 represents ester bond, -CH2O-, or -OCH2-, X represents, for example, CF3, CF2H, and Y represents H or F. Another object of the present invention is to provide a liquid crystal composition containing the liquid crystalline compound.

  本发明的目的是提供一种新型液晶化合物，该化合物具有较大的介电各向异性，阈值电压随温度的变化较小，并且在低温下的溶解性优于其他液晶材料，其通式(1)如下： 其中 R 代表例如具有 1 至 10 个碳原子的烷基或烷氧基，m 和 n 独立地为 0 或 1，A1、A2 和 A3 独立地为例如反式-1,4-环己烯基、1,4-亚苯基，其环上的一个或多个氢原子可被 F 取代、Z1、Z2 和 Z3 独立地代表-COO-、-OCO-、-(CH2)2-、-CH2O-、-OCH2-或共价键，条件是 Z1、Z2 和 Z3 中至少有一个代表酯键、-CH2O-或-OCH2-，X 代表例如 CF3、CF2H，Y 代表 H 或 F。本发明的另一个目的是提供一种含有液晶化合物的液晶组合物。