2-(4-octyloxyphenyl)-5-nonylpyrimidine | 57202-58-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-octyloxyphenyl)-5-nonylpyrimidine
• 英文别名: 5-n-Nonyl-2-(4-n-octyloxyphenyl)-pyrimidin；5-nonyl-2-(4-octyloxy-phenyl)-pyrimidine；2-p-octyloxyphenyl-5-nonylpyrimidine；Pyrimidine, 5-nonyl-2-[4-(octyloxy)phenyl]-；5-nonyl-2-(4-octoxyphenyl)pyrimidine
• CAS: 57202-58-1
• 化学式: C₂₇H₄₂N₂O
• mdl: MFCD00991790
• 分子量: 410.643
• InChiKey: FMCGFINLOXSJPV-UHFFFAOYSA-N

物化性质

• 沸点：
  478.2±37.0 °C(Predicted)
• 密度：
  0.957±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  30
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-n-Nonyl-2-(4-n-octyloxyphenyl)-4,6-dichlorpyrimidin 以74%的产率得到
  参考文献：
  名称：

  ZASCHKE H., J. PRAKT. CHEM. , 1975, 317, NO 4, 617-630

  摘要：

  DOI：

文献信息

• Fluorinated polycycles and their use in liquid-crystal mixtures
  申请人：Wingen Rainer

  公开号：US20050098762A1

  公开（公告）日：2005-05-12

  Compounds of the formula (I) where: R 1 , R 2 are each independently a) H b) -M 1 -A 1 -R 5 c) a straight-chain or branched alkyl radical having from 1 to 16 carbon atoms or astraight-chain or branched alkenyl radical having from 2 to 16 carbon atoms, where c1) one or more nonadjacent and nonterminal CH 2 groups may be replaced by —O—, —C(═O)O—, —O—C(═O)—, —O—C(═O)—O—, —C(═O)— or —Si(CH 3 ) 2 —, and/or c2) one CH 2 group may be replaced by —C≡C—, cyclopropane-1,2-diyl, cyclobutane-1,3-diyl, cyclohexane-1,4-diyl or phenylene-1,4-diyl, and/or c3) one or more hydrogen atoms may be replaced by F and/or Cl, p, q, r are each independently 0 or 1 M 1 —is —CO—O—, —O—CO—, —CH 2 —O—, —O—CH 2 —, —CF 2 —O—, —O—CF 2 —, —CH═CH—, —CF═CF—, —C≡C—, —CH 2 —CH 2 —CO—O—, —O—CO—CH 2 —CH 2 —, —CH 2 —CH 2 —, —CF 2 —CF 2 —, —(CH 2 ) 4 —, —OC(═O)CF═CF— or a single bond, A 1 is 1,4-phenylene where one or two hydrogen atoms may be replaced by F, Cl, CN and/or OCF 3 , or up to three hydrogen atoms may be replaced by fluorine, 1,4-cyclohexylene where one or two hydrogen atoms may be replaced by CH 3 and/or F, 1-cyclohexene-1,4-diyl where one hydrogen atom may be replaced by CH 3 or F, or 1,3-dioxane-2,5-diyl, R 5 has the same possible definitions as R and R with the exception of -M 1 -A 1 -R 5 , with the provisos that: a) at least one of p, q, r is 1 b) R 1 and R 2 must not at the same time be H are used in liquid-crystal mixtures.

  化合物的结构式（I）如下：其中：R1，R2分别独立地为a）Hb）-M1-A1-R5c）具有1至16个碳原子的直链或支链烷基基团或具有2至16个碳原子的直链或支链烯基基团，其中c1）一个或多个非相邻且非末端的CH2基团可以被替换为—O—，—C(═O)O—，—O—C(═O)—，—O—C(═O)—O—，—C(═O)—或—Si(CH3)2—，和/或c2）一个CH2基团可以被—C≡C—，环丙烷-1,2-二基，环丁烷-1,3-二基，环己烷-1,4-二基或苯基-1,4-二基替换，和/或c3）一个或多个氢原子可以被F和/或Cl替换，p，q，r分别独立地为0或1M1为—CO—O—，—O—CO—，—CH2—O—，—O—CH2—，—CF2—O—，—O—CF2—，—CH═CH—，—CF═CF—，—C≡C—，—CH2—CH2—CO—O—，—O—CO—CH2—CH2—，—CH2—CH2—，—CF2—CF2—，—(CH2)4—，—OC(═O)CF═CF—或单键，A1为1,4-苯基，其中一个或两个氢原子可以被F，Cl，CN和/或OCF3替换，或最多三个氢原子可以被氟替换，1,4-环己基，其中一个或两个氢原子可以被CH3和/或F替换，1-环己烯-1,4-二基，其中一个氢原子可以被CH3或F替换，或1,3-二氧杂环戊烷-2,5-二基，R5具有与R和R相同的可能定义，但不包括-M1-A1-R5，条件是：a）p，q，r中至少有一个为1b）R1和R2不能同时为H，用于液晶混合物。
• Fluorinated fused aromatics and their use in liquid-crystal mixtures
  申请人：Schmidt Wolfgang

  公开号：US20050258397A1

  公开（公告）日：2005-11-24

  Compounds of the formula (I) in which R 1 , R 2 , p, q, G and X are each as defined in the description, use of compounds of the formula (I) in liquid-crystal mixtures, liquid-crystal mixture comprising one or more compounds of the formula (I), and a liquid-crystal display comprising an inventive liquid-crystal mixture.

  化合物的公式为(I)，其中R1、R2、p、q、G和X的定义如描述中所定义，化合物的公式(I)在液晶混合物中的使用，液晶混合物包括一个或多个化合物的公式(I)，以及包含创新液晶混合物的液晶显示器。
• Fluorinated xanthenes and use thereof in liquid-crystal mixtures
  申请人：Schmidt Wolfgang

  公开号：US20050274929A1

  公开（公告）日：2005-12-15

  Concerning the compound of the formula (I) R 1 , R 3 are each independently, for example, H R 2 , R 4 are each independently, for example, H X 1 , X 2 are each independently H or F M 1 is —CO—O—, —O—CO—, —CH 2 —O—, —O—CH 2 —, —CF 2 —O—, —O—CF 2 —, —CH═CH—, —CF═CF—, —C≡C—, —CH 2 —CH 2 —CO—O—, —O—CO—CH 2 —CH 2 —, —CH 2 —CH 2 —, —CF 2 —CF 2 —, —(CH 2 ) 4 —, —OC(═O)CF═CF— or a single bond A 1 is, for example, 1,4-phenylene, and R 5 has the same possible definitions as specified for R 2 and R 4 , with the exception of -M 1 -A 1 -R 5 , but independently of the particular definitions of R 2 and R 4 with the following provisos: 1) at least one of X 1 , X 2 has to be F 2) R 1 , R 2 , R 3 and R 4 must not at the same time be H 3) at most two of R 1 , R 2 , R 3 and R 4 may be c).

  关于化学式（I）的化合物，R1、R3可以分别是HR2，R4可以分别是HX1，X2可以是H或FM1，其中FM1是—CO—O—、—O—CO—、—CH2—O—、—O—CH2—、—CF2—O—、—O—CF2—、—CH═CH—、—CF═CF—、—C≡C—、—CH2—CH2—CO—O—、—O—CO—CH2—CH2—、—CH2—CH2—、—CF2—CF2—、—（CH2）4—、—OC（═O）CF═CF—或单键，A1可以是1,4-苯撑基，R5具有与R2和R4指定的相同可能定义，但-M1-A1-R5除外，但与R2和R4的特定定义无关，具有以下规定：1）X1、X2中至少有一个为F；2）R1、R2、R3和R4不能同时为H；3）R1、R2、R3和R4中最多有两个可以是c。
• Polyfluorinated fused aromatics and their use in liquid-crystal mixtures
  申请人：Schmidt Wolfgang

  公开号：US20050255258A1

  公开（公告）日：2005-11-17

  A compound of the formula (I) is described where: R 1 is a) H b) a straight-chain or branched alkyl radical having from 1 to 16 carbon atoms or a straight-chain or branched alkenyl radical having from 2 to 16 carbon atoms, in which b1) one or more nonadjacent and nonterminal CH 2 groups may be replaced by —O—, —C(═O)O—, —O—C(═O)—, —O—C(═O)—O—, —C(═O)— or —Si(CH 3 ) 2 — and/or b2) one CH 2 group may be replaced by —C≡C—, cyclopropane-1,2-diyl, cyclobutane-1,3-diyl, cyclohexane-1,4-diyl or phenylene-1,4-diyl and/or b3) one or more hydrogen atoms may be replaced by F and/or Cl c) -M 1 -A 1 -R 5 R 2 has the same possible definitions as specified for R 1 , with the exception of H, but independently of the definition of R 1 and R 5 R 5 has the same possible definitions as specified for R 1 , with the exception of -M 1 -A 1 -R 5 , but independently of the definition of R 1 and R 3 M 1 is —CO—O—, —O—CO—, —CH 2 —O—, —O—CH 2 —, —CF 2 —O—, —O—CF 2 —, —CH═CH—, —CF═CF—, —C≡C—, —CH 2 —CH 2 —CO—O—, —O—CO—CH 2 —CH 2 —, —CH 2 —CH 2 —, —CF 2 —CF 2 —, —(CH 2 ) 4 —, —OC(═O)CF═CF— or a single bond A 1 is 1,4-phenylene in which one or two hydrogen atoms may be replaced by F, Cl, CN and/or OCF 3 or three hydrogen atoms may be replaced by fluorine, 1,4-cyclohexylene in which one or two hydrogen atoms may be replaced by CH 3 and/or F, 1-cyclohexene-1,4-diyl in which one hydrogen atom may be replaced by CH 3 or F, pyrimidine-2,5-diyl, pyridine-2,5-diyl in which one hydrogen atom may be replaced by F, or 1,3-dioxane-2,5-diyl p, q, rare each independently 0 or 1, i.e. at the value zero, —H is present at the appropriate position instead of —F, with the proviso that: at least one of p, q, r is 1.

  描述了一种式子为（I）的化合物，其中：R1为a）H，b）具有1至16个碳原子的直链或支链烷基基团或具有2至16个碳原子的直链或支链烯基基团，在其中b1）一个或多个非相邻和非端部的CH2基团可以被替换为—O—、—C（═O）O—、—O—C（═O）—、—O—C（═O）—O—、—C（═O）—或—Si（CH3）2—和/或b2）一个CH2基团可以被替换为—C≡C—、环丙烷-1,2-二基、环丁烷-1,3-二基、环己烷-1,4-二基或苯-1,4-二基和/或b3）一个或多个氢原子可以被F和/或Cl替换c）-M1-A1-R5R2具有与R1指定的相同可能的定义，除了H之外，但与R1和R5R5定义的独立定义，除了-M1-A1-R5之外，但与R1的定义无关，R3M1为—CO—O—、—O—CO—、—CH2—O—、—O—CH2—、—CF2—O—、—O—CF2—、—CH═CH—、—CF═CF—、—C≡C—、—CH2—CH2—CO—O—、—O—CO—CH2—CH2—、—CH2—CH2—、—CF2—CF2—、—（CH2）4—、—OC（═O）CF═CF—或单键A1为1,4-苯基，其中一个或两个氢原子可以被F、Cl、CN和/或OCF3替换或三个氢原子可以被氟替换，1,4-环己基，其中一个或两个氢原子可以被CH3和/或F替换，1-环己烯-1,4-二基，其中一个氢原子可以被CH3或F替换，嘧啶-2,5-二基，吡啶-2,5-二基，其中一个氢原子可以被F替换，或1,3-二氧杂环戊烷-2,5-二基p、q、r各自独立为0或1，即在值为零时，在适当位置存在—H而不是—F，但须满足：p、q、r中至少有一个为1。
• Fluorinated heterocycles and their use in liquid-crystal mixtures
  申请人：Schmidt Wolfgang

  公开号：US20050258399A1

  公开（公告）日：2005-11-24

  In the compound of the formula (I), where: R 1 , R 2 are each independently, for example, H or a straight-chain or branched alkyl radical p, q are each independently 0 or 1, i.e. at the value zero, —H is present at the appropriate position instead of —F M 1 is —CO—O—, —O—CO—, —CH 2 —O—, —O—CH 2 —, —CF 2 —O—, —O—CF 2 —, —CH═CH—, —CF═CF—, —C≡C—, —CH 2 —CH 2 —CO——O—,—O—CO—CH 2 —CH 2 —, —CH 2 —CH 2 —, —CF 2 —CF 2 —, —(CH 2 ) 4 —, —OC(═O)CF═CF— or a single bond A 1 is, for example, 1,4-phenylene R 5 has the same possible definitions as specified for R 1 and R 2 , with the exception of -M 1 -A 1 -R 5 , but independently of the definition of R 1 and R 2 X is H, F, OF 3 , CF 3 , OCF 2 H with the following provisos: a) at least one of p, q has to be 1 b) R 1 and R 2 must not at the same time be H c) R 2 and X must not at the same time be H.

  在公式(I)的化合物中，其中：R1，R2各自独立，例如，H或直链或支链烷基p，q各自独立为0或1，即在值为零时，-H出现在适当的位置，而不是-FM1是-CO-O-，-O-CO-，-CH2-O-，-O-CH2-，-CF2-O-，-O-CF2-，-CH═CH-，-CF═CF-，-C≡C-，-CH2-CH2-CO——O-，-O-CO-CH2-CH2-，-CH2-CH2-，-CF2-CF2-，-（CH2）4-，-OC（=O）CF═CF-或单键A1是例如1,4-苯撑基R5具有与R1和R2指定的相同可能定义，但除了-M1-A1-R5的定义外，与R1和R2的定义无关X为H，F，OF3，CF3，OCF2H，具有以下限制：a）p，q中至少有一个必须为1b）R1和R2不能同时为Hc）R2和X不能同时为H。