4-(4-propylcyclohexyl)benzoyl chloride | 81005-00-7

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 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-(4-propylcyclohexyl)benzoyl chloride
• 英文别名: 4-n-propyl-(4-trans-cyclohexyl)benzoyl chloride；trans-4-(4-Propylcyclohexyl)benzoesaeurechlorid；4-(trans-4'-n-propylcyclohexyl)benzoyl chloride；4-(trans-4-propylcyclohexyl)benzoyl chloride
• CAS: 81005-00-7
• 化学式: C₁₆H₂₁ClO
• 分子量: 264.795
• InChiKey: OEABBNGVFWXEJP-JOCQHMNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-(4-propylcyclohexyl)benzoyl chloride 在 bis(η3-allyl-μ-chloropalladium(II)) 、 (4S,5S)-1-mesityl-3-(2-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazol-3-ium tetrafluoroborate 、 copper(l) chloride 、 sodium t-butanolate 、 亚磷酸三乙酯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 12.0h， 生成 (S)-2-phenethyl-1-(4-(trans-4-propylcyclohexyl)phenyl)but-3-en-1-one
  参考文献：
  名称：

  光诱导铜催化烯丙基磷酸酯与酰基硅烷的不对称酰化

  摘要：

  我们报告了一种可见光诱导的铜催化的高度对映选择性 umpolung 烯丙基酰化反应，其中酰基硅烷作为酰基阴离子等价物。三重态猝灭实验和 DFT 计算支持我们的反应设计，该反应设计基于铜-酰基金属-配体电荷转移 (MLCT) 光激发，产生电荷分离的三重态作为高反应性中间体。根据计算，处于激发态的烯丙基磷酸底物经历新的分子活化，形成与铜络合物弱结合的烯丙基自由基。在手性 N-杂环卡宾配体的影响下，烯丙基自由基片段与酰基发生铜介导的区域和立体控制偶联。

  DOI：

  10.1021/jacs.1c11526
• 作为产物：
  描述：

  4-丙基环己基酮 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 三氯化铝 、 氯化亚砜 、 氢气 、 溴 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 乙醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 5.5h， 生成 4-(4-propylcyclohexyl)benzoyl chloride
  参考文献：
  名称：

  Bezborodov, V. S.; Bubel', O. N.; Konovalov, V. A., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, p. 1479 - 1483

  摘要：

  DOI：

文献信息

• Liquid Crystal of Ethyl and Propyl Aromatic Aldehyde with Azo Core and Photosensitivity in Mesophase
  作者：Yong-Sheng Wei、Min-Yan Zheng、Wei Geng、Shan Wang、Yong-Hui Shang

  DOI：10.14233/ajchem.2015.18367

  日期：——

  Eight new stable rod-like aromatic aldehyde liquid crystalline molecules with azo bridge have been prepared, in which single or double six-membered carbon ring carboxylic acid mesogenic cores with shorter alkyl chain of ethyl, n-propyl were condensed with hydroxyl azo benzaldehyde. These compounds have been characterized by their spectral data, DSC and HS-POM. These molecules were expected to exhibit liquid crystal phase so that the influence of UV-light on their textures of mesophase could be detected. The results showed that all these target compounds have the temperature range of mesophase between 101 and 145 °C. After irradiating under UV-light, they exihibited photo-sensitivity not only in methanol but also in mesophase.

  我们制备了八种新的稳定的偶氮桥杆状芳香醛液晶分子，其中单或双六元碳环羧酸中原核具有较短的乙基、正丙基烷基链，并与羟基偶氮苯甲醛缩合。通过光谱数据、DSC 和 HS-POM 对这些化合物进行了表征。预计这些分子会呈现液晶相，因此可以检测紫外光对它们介相质地的影响。结果表明，所有这些目标化合物的介相温度范围都在 101 至 145 ℃ 之间。在紫外线照射下，它们不仅在甲醇中，而且在介相中都表现出光敏感性。
• Fluorine-substituted liquid-crystal compound, liquid-crystal composition
  申请人：Chisso Corporation

  公开号：US06051288A1

  公开（公告）日：2000-04-18

  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): ##STR1## 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, A.sub.1, A.sub.2, and A.sub.3 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, Z.sub.1, Z.sub.2, and Z.sub.3 independently represent --COO--, --OCO--, --(CH.sub.2).sub.2 --, --CH.sub.2 O--, --OCH.sub.2 --, or a covalent bond provided that at least one of Z.sub.1, Z.sub.2, and Z.sub.3 represents ester bond, --CH.sub.2 O--, or --OCH.sub.2 --, X represents, for example, CF.sub.3, CF.sub.2 H, 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，具有大的介电各向异性，温度变化下阈值电压的小变化，并且在低温下对其他液晶材料的溶解性得到改善，其通式如下：##STR1## 其中，R代表例如1到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独立地代表例如反-1,4-环己基、1,4-苯基，环上的一个或多个氢原子可以被F取代，Z1、Z2和Z3独立地代表--COO--、--OCO--、--(CH2)2--、-- O--、--O --或共价键，其中至少有一个Z1、Z2或Z3代表酯键、-- O--或--O --，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包含所述液晶化合物的液晶组合物。
• Alkenyl ether derivative and liquid crystal composition containing the
  申请人：Chisso Corporation

  公开号：US05180519A1

  公开（公告）日：1993-01-19

  An alkenyl ether derivative having a low viscosity, a good compatibility with other liquid crystalline compounds and being capable of use in preparing a liquid crystal display element having a high response rate are provided, which derivative is expressed by the formula R.sub.1 --CH.sub.2 --O--(CH.sub.2)n--A.sub.1 --A.sub.2 A.sub.3 --R.sub.2[1] wherein R.sub.1 is a 2-7C alkenyl group having a double bond at its terminal or a double bond of a trans configuration at a position other than its terminal, R.sub.2 is 1-10C alkyl group or alkoxy group, A.sub.1 and A.sub.2 each independently are a 1,4-phenylene or a trans-1,4-cyclohexylene, A.sub.3 represents a 1,4-phenylene, a trans-1,4-cyclohexylene or a single bond and n is 1 or 2.

  本发明提供了一种烯基醚衍生物，其粘度低，与其他液晶化合物相容性好，并能用于制备具有高响应速度的液晶显示元件，该衍生物由以下公式表示：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是具有其末端处的双键或位置处于其末端以外的反式构型的2-7C烯基基团，R.sub.2是1-10C烷基基团或烷氧基团，A.sub.1和A.sub.2各自独立地是1,4-苯撑基或反式-1,4-环己撑基，A.sub.3代表1,4-苯撑基、反式-1,4-环己撑基或单键，n为1或2。
• 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.

  2-苯基-5-(4'-顺-环己基)苯基嘧啶衍生物的一般式表示为：##STR1## 其中R是直链烷基，其碳原子数为1到10；X是CN或F；Y是F或H；Z是F或H；当X为F时，至少有一个Y和Z为H；且环己烷环为顺异构体，表现出向列相，并具有高向列相-等向液相转变温度（N-I点）和大正电介质常数各向异性（Δε）。这些嘧啶衍生物可包含在液晶组合物中，以改善具有宽温度范围、包括高N-I点、低阈值电压和低驱动电压的显示装置。
• 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- -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 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- -基可选地被-O-，-C（=O）O-，-Si（ ）2-取代，或一个或多个H被F或 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-，-O -，-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- -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 -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-，-O -，- O-，-C≡C-，- -，- -，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， 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- -基可被-O-，-C（=O）O-，-Si（ ）2-取代，可选地一个或多个H被F或 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。