4-(4-n-pentyl-4-phenyl-4-silacyclohexyl) cyclohexanone | 174458-51-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 4-(4-n-pentyl-4-phenyl-4-silacyclohexyl) cyclohexanone
• 英文别名: 4-(4-n-pentyl-4-phenyl-4-silacyclohexyl)cyclohexanone；4-(1-pentyl-1-phenylsilinan-4-yl)cyclohexan-1-one
• CAS: 174458-51-6
• 化学式: C₂₂H₃₄OSi
• 分子量: 342.597
• InChiKey: DCYWIGQBOHDQDW-UHFFFAOYSA-N

物化性质

• 沸点：
  439.8±45.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 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-(4-n-pentyl-4-phenyl-4-silacyclohexyl) cyclohexanone 生成 Trans-4-(4-(4-trifluoromethoxyphenyl)phenyl)-1-n-pentyl-1-silacyclohexane
  参考文献：
  名称：

  Process for preparing silacyclohexane-base liquid crystal compounds

  摘要：

  一种制备基于硅环己烷的液晶化合物的方法，包括将以下一般式的酮类化合物与有机金属试剂如格氏试剂或有机钛、有机锂或有机锌化合物反应，其中Ar代表苯基或甲苯基，R代表Ar、取代或未取代的烷基，随后进行脱水、氧化、去硅和还原以获得以下类型的基于硅环己烷的液晶化合物：其中Y是卤素，i是0、1、2或3的值，A代表取代的苯基或甲苯基或卤素或功能基团如CN、Cl、Br、OCF.sub.3、OCHF.sub.2等。

  公开号：

  US05514824A1

文献信息

• Silacyclohexane compounds, preparation thereof, liquid crystal
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US06004478A1

  公开（公告）日：1999-12-21

  A silacyclohexane compound of the formulas (I) ##STR1## wherein R represents an organic residue, ##STR2## represents an unsubstituted or substituted silicon-containing cyclohexylene group or a 1,4-cyclohexylene group, ##STR3## represents an unsubstituted or substituted phenylene, an unsubstituted or substituted silicon-containing cyclohexylene group or trans-4-sila-1,4-cyclohexylene group, or a 1,4-cyclohexylene group provided that at least one of these residues represents a silicon-containing cyclohexylene group, j, k and l are, respectively, 0 or 1, L.sub.1 and L.sub.2, respectively, represent H or F, m and n are, respectively, 0, 1 or 2 provided that m+n=2, 3 or 4, and X represents H, F or Cl. A liquid crystal composition comprising the silacyclohexane compound of the above formula is also described, along with a liquid crystal device comprising the composition.

  化学式（I）的硅环己烷化合物##STR1##其中R代表有机残基，##STR2##代表未取代或取代的含硅环己基团或1,4-环己基团，##STR3##代表未取代或取代的苯基、未取代或取代的含硅环己基团或反-4-硅-1,4-环己基团，或1,4-环己基团，其中至少一个这些残基代表含硅环己基团，j、k和l分别为0或1，L.sub.1和L.sub.2分别代表H或F，m和n分别为0、1或2，但要求m+n=2、3或4，X代表H、F或Cl。还描述了包括上述化学式的硅环己烷化合物的液晶组合物，以及包括该组合物的液晶器件。
• Process for preparing sil acyclohexane-based liquid crystal compounds from silacyclohexanone compounds
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：EP0765880A1

  公开（公告）日：1997-04-02

  Silacyclohexane-based liquid crystal compounds are prepared from a cyclohexanone compound of the following general formula (I) wherein Ar represents a phenyl group or a tolyl group, and R represents a phenyl group, a tolyl group, a linear alkyl group having from 1 to 10 carbon atoms, a mono or difluoroalkyl group having from 1 to 10 carbon atoms, a branched alkyl group having from 3 to 8 carbon atoms or an alkoxyalkyl group having from 2 to 7 carbon atoms, and also from organolithium reagents, followed by hydrogenolysis or hydrogenation after dehydration, with or without further reaction with organometal reagents, and then to de-silylation and reduction.

  基于硅环己烷的液晶化合物是从以下通用式(I)的环己酮化合物制备而成，其中Ar代表苯基或甲苯基，R代表苯基、甲苯基、具有1至10个碳原子的直链烷基、具有1至10个碳原子的单氟或二氟烷基、具有3至8个碳原子的支链烷基或具有2至7个碳原子的烷氧基烷基，然后从有机锂试剂制备，随后脱水后进行氢解或氢化，可以选择进一步与有机金属试剂反应，然后进行脱硅和还原。
• Cyclohexanone compounds, process for preparing the same, and processes
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US05693841A1

  公开（公告）日：1997-12-02

  A cyclohexanone compound of the following general formula (I) is provided ##STR1## wherein Ar represents a phenyl group or a tolyl group, and R represents a phenyl group, a tolyl group, a linear alkyl group having from 1 to 10 carbon atoms, a mono or difluoroalkyl group having from 1 to 10 carbon atoms, a branched alkyl group having from 3 to 8 carbon atoms or an alkoxyalkyl group having from 2 to 7 carbon atoms. The preparation of the cyclohexanone compound is also described along with processes for preparing liquid crystal compounds from the cyclohexanone compound.

  提供了以下一般式（I）的环己酮化合物：##STR1## 其中Ar代表苯基或甲苯基，R代表苯基、甲苯基、具有1至10个碳原子的线性烷基、具有1至10个碳原子的单氟或二氟烷基、具有3至8个碳原子的支链烷基或具有2至7个碳原子的烷氧基烷基。文中还描述了环己酮化合物的制备方法以及从环己酮化合物制备液晶化合物的过程。
• Silacyclohexane compounds, preparation thereof liquid crystal
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US05730901A1

  公开（公告）日：1998-03-24

  A silacyclohexane compound of the formulas (I) ##STR1## wherein R represents an organic residue, ##STR2## represents an unsubstituted or substituted silicon-containing cyclohexylene group or a 1,4-cyclohexylene group, ##STR3## represents an unsubstituted or substituted phenylene, an unsubstituted or substituted silicon-containing cyclohexylene group or trans-4-sila-1,4-cyclohexylene group, or a 1,4-cyclohexylene group provided that at least one of these residues represents a silicon-containing cyclohexylene group, m, n, i, k and l are, respectively, 0 or 1 provided that j+l=0 or 1 and m+k=1 or 2, L.sub.1 and L.sub.2, respectively, represent H or F, m and n are, respectively, 0 or 1, X.sub.1 and Y independently represent H, F or Cl, and X.sub.2 represents F or Cl. A liquid crystal composition comprising the silacyclohexane compound of the above formula is also described, along with a liquid crystal device comprising the composition.

  化合物(I)的分子式为：##STR1## 其中，R代表有机残基，##STR2## 代表未取代或取代的含硅环己烯基或1,4-环己烯基，##STR3## 代表未取代或取代的苯基、未取代或取代的含硅环己烯基或反-4-硅-1,4-环己烯基，或1,4-环己烯基，至少其中一个残基代表含硅环己烯基，m、n、i、k和l分别为0或1，但j+l=0或1，m+k=1或2，L.sub.1和L.sub.2分别代表H或F，m和n分别为0或1，X.sub.1和Y分别代表H、F或Cl，X.sub.2代表F或Cl。还描述了一种包含上述化合物的液晶组合物，以及包含该组合物的液晶器件。
• A method of manufacturing a trans silacyclohexane compound
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP0713878B1

  公开（公告）日：2000-02-16