1-ethanon | 95215-30-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-ethanon
• 英文别名: 1-(trans-4-(trans-4-propylcyclohexyl)cyclohexyl)ethyl-1-one；1-[trans-4-(trans-4-Propylcyclohexyl)cyclohexyl]ethanon
• CAS: 95215-30-8
• 化学式: C₁₇H₃₀O
• 分子量: 250.425
• InChiKey: PZTJFLYVHGTTBK-GARHLSDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.99
• 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：
  0.94
• 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：

  1-ethanon 在 (T-4)-氟化硒 作用下， 以 1,1,2-三氯三氟乙烷（CFC-113） 为溶剂， 反应 2.0h， 生成 4-(1,1-Difluoro-ethyl)-4'-propyl-bicyclohexyl
  参考文献：
  名称：

  Synthesis and Some Physical Properties of Bicyclohexanes Having Fluoro Substituted Alkyl Moiety

  摘要：

  The influence of introducing fluorine atoms into alkyl chains of dialkylbicyclohexanes on their physical properties has been investigated. Wide mesophase ranges of the bicyclohexanes were induced by the fluorine atoms. Their viscosity changed depending on the position of fluorine atoms on the alkyl chains and some of the fluorinated bicyclohexanes showed low viscosity. Also dielectric anisotropy and birefringence increased by introducing fluorine atoms. By using the fluorinated compounds mixtures for TFT and STN applications having attractive properties; a wide mesophase range, lower viscosity and higher specific resistivity could be obtained.

  DOI：

  10.1080/10587259508038701
• 作为产物：
  描述：

  1-(4-(4-propylcyclohexyl)cyclohexyl)ethyl-1-ol 在 sodium hypochlorite 、 双氧水 、 potassium hydroxide 作用下， 以 辛醇 、 水 、 丙酮 为溶剂， 反应 7.0h， 生成 1-ethanon
  参考文献：
  名称：

  一种反式反式双环己基烷类液晶化合物的制备新方法

  摘要：

  本发明公开了一种反式反式双环己基烷类液晶化合物的制备方法，采用1‑(4‑(4‑烷基环己基)苯基)烷基‑1‑酮为原料，通过催化加氢反应，实现苯环转化环己环，再在碱性条件下进行转位，制得1‑(4‑(4‑烷基环己基)环己基)烷基‑1‑醇，再通过氧化反应、还原反应，最终制得反式反式双环己基烷类液晶化合物。本发明合成路线独特，不仅实现了绿色化工，而且使得产品收率大大提高，品质提升，成本降低。

  公开号：

  CN109534948A

文献信息

• Ketones-Nematogens with Moderate Negative Dielectric Anisotropy and High Clearing Points
  作者：Maged A. Osman、T. Huynh-ba

  DOI：10.1080/00268948408072502

  日期：1984.12

  with their chemical structure. The l-(4-alkanoylphenyl)-4-trans-alkylcyclohexanes as well as the l-(4-alkanoylphenyl)-4-(rani-alkan-oylcyclohexanes show nematic phases. In contrast to laterally substituted compounds, these ketones have clearing points which are higher than those of the corresponding hydrocarbons. Another advantage of these nematogens is the ease of synthesis.

  摘要 合成了刚性核含有苯基和环己基单元的各向异性酮。羰基结合在末端取代基或核心单元之间的连接中。这些酮的介晶行为被描述并与其化学结构相关。L-(4-烷酰基苯基)-4-反式烷基环己烷以及 L-(4-烷酰基苯基)-4-(rani-烷酰基环己烷显示向列相。与横向取代的化合物相比，这些酮具有清除点高于相应的碳氢化合物。这些线虫剂的另一个优点是易于合成。
• Cyclohexane derivatives
  申请人：Merck Patent Gesellschaft mit beschrankter Haftung

  公开号：US04943384A1

  公开（公告）日：1990-07-24

  Cyclohexane derivatives of the formula I R.sup.1 --A.sup.1 --Z.sup.1 --A.sup.2 --R.sup.2 I wherein R.sup.1 and R.sup.2 are each H or an alkyl group which has 1-10 C atoms and in which one or two non-adjacent CH.sub.2 groups can also be replaced by 0 atoms and/or --CO-groups, and/or --CO--O-- groups and/or --CH.dbd.CH-- groups, or are F, Cl, Br, CN or R.sup.3 --A.sup.3 --Z.sup.2 --, A.sup.1 is --A--, A.sup.4 --Z.sup.o --A-- or --A--Z.sup.o --A.sup.4 --, A is a trans-1,4-cyclohexylene or 1,4-cyclohexenylene group which is unsubstituted or is monosubstituted or polysubstituted in the 2-, 3-, 5- and/or 6-position by F and/or Cl and/or Br and/or CN and/or an alkyl group or a fluorinated alkyl group each of which has 1-10 C atoms and in which one or two non-adjacent CH.sub.2 groups can also be replaced by 0 atoms and/or --CO-- groups and/or --CO--O-- groups, which trans-1,4-cyclohexylene or 1,4-cyclohexenylene group can optionally also be substituted in the 1-position and/or 4-position and one or two CH.sub.2 groups therein are replaced by --CO--, or R.sup.1 --A.sup.1 -- is a cyclohexyl group which is substituted in the 3-position by an alkyl group which has 1-10 C atoms and in which one or two non-adjacent CH.sub.2 groups can also be replaced by 0 atoms and/or --CO-- groups and/or --CO--O-- groups and/or --CH.dbd.CH-- groups, or is substituted in the 3-position by CN, in which cyclohexyl group one or two nonadjacent CH.sub.2 groups can also be replaced by --O-- or --CO--, A.sup.2, A.sup.3 and A.sup.4 are each 1,4-phenylene which is unsubstituted or substituted by one or two F and/or Cl atoms and/or CH.sub.3 groups and/or CN groups and in which one or two CH groups can also be replaced by N atoms and/or NO, or are 1,4-cyclohexylene wherein one or two non-adjacent CH.sub.2 groups can also be replaced by 0 atoms, or are 1,3-dithiane-2,5-diyl, piperidine-1,4-diyl, 1,4-bicyclo(2,2,2)-octylene, decahydronaphthalene-2,6-diyl or 1,2,3,4-tetrahydronaphthalene-2,6-diyl groups or are --A--, Z.sup.o, Z.sup.1 and Z.sup.2 are each --CO--O--, --O--CO--, -- CH.sub.2 CH.sub.2 --, --OCH.sub.2 --, --CH.sub.2 O--, --CH.sub.2 CO--, --COCH.sub.2 --, --CH.sub.2 CHCN--, --CHCNCH.sub.2 -- or a single bond, and R.sup.3 is H or an alkyl group which has 1-10 C atoms and in which one or two non-adjacent CH.sub.2 groups can also be replaced by 0 atoms and/or --CO-- groups and/or --CO--O-- groups and/or --CH.dbd.CH-- groups, or is F, Cl, Br or CN, are suitable for use as components of liquid-crystal phases.

  公式I的环己烷衍生物，其中R.sup.1和R.sup.2分别为H或具有1-10个C原子的烷基，其中一个或两个非相邻的CH.sub.2基团也可以被0原子和/或- CO-基团和/或- CO-O-基团和/或- CH.dbd.CH-基团替代，或者为F，Cl，Br，CN或R.sup.3-A.sup.3-Z.sup.2-，A.sup.1为-A-，A.sup.4-Z.sup.o-A-或-A-Z.sup.o-A.sup.4-，A为未取代或在2-，3-，5-和/或6-位置通过F和/或Cl和/或Br和/或CN和/或具有1-10个C原子的烷基或氟代烷基的单取代或多取代的反-1,4-环己烯基或1,4-环己烷基，其中一个或两个非相邻的CH.sub.2基团也可以被0原子和/或- CO-基团和/或- CO-O-基团替代，该反-1,4-环己烯基或1,4-环己烷基还可以在1-位置和/或4-位置取代，其中一个或两个CH.sub.2基团被- CO-替代，或R.sup.1-A.sup.1-是在3-位置上用具有1-10个C原子的烷基替代或其中一个或两个非相邻的CH.sub.2基团也可以被0原子和/或- CO-基团和/或- CO-O-基团和/或- CH.dbd.CH-基团替代的环己基，或者在3-位置上用CN替代，其中一个或两个非相邻的CH.sub.2基团也可以被-O-或-CO-替代，A.sup.2，A.sup.3和A.sup.4分别为未取代或通过一个或两个F和/或Cl原子和/或CH.sub.3基和/或CN基取代的1,4-苯撑基，其中一个或两个CH基团也可以被N原子和/或NO替代，或为1,4-环己撑基，其中一个或两个非相邻的CH.sub.2基团也可以被0原子替代，或为1,3-二硫杂环戊烷-2,5-二基，哌啶-1,4-二基，1,4-双环（2,2,2）-辛烷基，癸环己烷-2,6-二基或1,2,3,4-四氢萘-2,6-二基，或为-A-，Z.sup.o，Z.sup.1和Z.sup.2分别为-CO-O-，-O-CO-，-CH.sub.2CH.sub.2-，-OCH.sub.2-，-CH.sub.2O-，-CH.sub.2CO-，-COCH.sub.2-，-CH.sub.2CHCN-，-CHCNCH.sub.2-或单键，且R.sup.3为H或具有1-10个C原子的烷基，其中一个或两个非相邻的CH.sub.2基团也可以被0原子和/或- CO-基团和/或- CO-O-基团和/或- CH.dbd.CH-基团替代，或为F，Cl，Br或CN，适用于作为液晶相的组分。
• Sucrow, Wolfgang; Wolter, Herbert, Chemische Berichte, 1986, vol. 119, # 2, p. 387 - 400
  作者：Sucrow, Wolfgang、Wolter, Herbert

  DOI：——

  日期：——
• CYCLOHEXANDERIVATE
  申请人：MERCK PATENT GmbH

  公开号：EP0216880B1

  公开（公告）日：1988-11-02
• US4943384A
  申请人：——

  公开号：US4943384A

  公开（公告）日：1990-07-24