1-heptyl-cyclohexanecarbonitrile

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-heptyl-cyclohexanecarbonitrile
• 英文别名: 1-Heptyl-cyclohexancarbonitril；1-Heptylcyclohexane-1-carbonitrile
• 化学式: C₁₄H₂₅N
• 分子量: 207.359
• InChiKey: BQYBNILUHIZUAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  环己甲酸 在 sodium 、 甲苯 作用下， 生成 1-heptyl-cyclohexanecarbonitrile
  参考文献：
  名称：

  Aminoesters of 1-Substituted Alicyclic Carboxylic Acids

  摘要：

  DOI：

  10.1021/ja01173a044

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

  公开号：US20050258400A1

  公开（公告）日：2005-11-24

  Compounds of the formula (I) are described in which M 1 is, for example, —CO—O— or a single bond A 1 is, for example, 1,4-phenylene, R 5 has the same possible definitions specified for R 1 , with the exception of -M 1 -A 1 -R 5 , but independently of the definition of R 1 G 1 -G 2 is CH 2 CH 2 , CH═CH, CF 2 CF 2 , CF═CF, CF═CH, CH═CF X 1 , X 2 , X 3 , X 4 , X 5 are each independently H or F R 1 , Y 1 , Y 2 are each independently a) H b) F where Y 1 , R 1 , (R 1 and Y 1 ) or (R 1 and Y 2 ) may also have the definitions c) and/or d), but only in each case not more than one of (R 1 and Y 1 ) and of (R 1 and Y 2 ) may have the definition d) c) is, for example, 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, d) -M 1 -A 1 -R 5 with the following provisos: a) at least one of X 1 , X 2 , X 3 , X 4 , X 5 , G 1 -G 2 is or contains F b1) when at least one of Y 1 and X 1 is F and/or G 1 -G 2 contains F, it is possible for R 1 , X 2 , X 3 , X 4 not to be F b2) when at least one of R 1 , X 2 , X 3 , X 4 is F, it is possible for X 1 and Y 1 not to be F, and for G 1 -G 2 to be CH 2 CH 2 or CH═CH c) it is not possible for Y 2 and X 5 simultaneously to be F.

  描述了化合物的公式（I），其中M1是，例如，-CO-O-或单键A1是，例如，1,4-苯撑基，R5具有与R1指定的相同可能定义，但独立于R1的定义，除了-M1-A1-R5之外，G1-G2是CH2CH2，CH═CH，CF2CF2，CF═CF，CF═CH，CH═CF，X1，X2，X3，X4，X5分别独立地为H或FR1，Y1，Y2分别独立地为a）H b）F，其中Y1，R1，（R1和Y1）或（R1和Y2）也可以具有定义c）和/或d）的定义，但只有在每种情况下，（R1和Y1）中的一个和（R1和Y2）中的一个可以具有定义d）c）例如，是直链或支链烷基，具有1至16个碳原子或具有2至16个碳原子的直链或支链烯基基团，d）-M1-A1-R5，具有以下限制：a）X1，X2，X3，X4，X5，G1-G2中至少一个是或含有Fb1）当Y1和X1中至少一个是F和/或G1-G2含有F时，可能R1，X2，X3，X4不是Fb2）当R1，X2，X3，X4中至少一个是F时，可能X1和Y1不是F，并且G1-G2为CH2CH2或CH═CHc）不可能同时使Y2和X5为F。
• US6682785B2
  申请人：——

  公开号：US6682785B2

  公开（公告）日：2004-01-27