4-n-propyl-4-phenyl-4-silacyclohexanone | 172208-55-8

• 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-n-propyl-4-phenyl-4-silacyclohexanone
• 英文别名: 4-phenyl-4-propyl-4-silacyclohexanone；4-propyl-4-phenyl-4-silacyclohexanone；4-phenyl-4-n-propyl-4-silacyclohexanone；1-phenyl-1-propylsilinan-4-one
• CAS: 172208-55-8
• 化学式: C₁₄H₂₀OSi
• 分子量: 232.398
• InChiKey: PGJMHAWIYHJALG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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-n-propyl-4-phenyl-4-silacyclohexanone 生成 4-phenyl-4-n-propyl-4-silacyclohexane carbaldehyde
  参考文献：
  名称：

  Silacyclohexane carbaldehyde compounds and processes for preparing

  摘要：

  以下是化学式（I）的硅环已烷羰基化合物： ##STR1## 其中Ar代表苯基或甲苯基，R代表苯基、甲苯基、线性烷基、单或双氟烷基、支链烷基、烷氧基烷基或烯基。还描述了从硅环已烷羰基化合物制备以下化学式（II）或（III）的硅环已烷基液晶化合物的过程： ##STR2## 其中，X代表CN，F，Cl，CF.sub.3，CClF.sub.2，CHClF，OCF.sub.3，OCClF.sub.2，OCHF.sub.2，OCHClF，(O).sub.m CT=CX.sub.1 X.sub.2，O(CH.sub.2).sub.r (CF.sub.2).sub.s X.sub.3，R或OR，其中m的值为0或1，T和X.sub.1独立地表示H，F或Cl，X.sub.2表示F或Cl，r和s分别为0、1或2的值，但需要满足r+s=2、3或4，X.sub.3表示H，F或Cl，R的含义与前面定义的相同，Y和Z独立地表示卤素或甲基基团，i和j独立地表示0、1或2的值。

  公开号：

  US05527490A1

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。
• 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）的硅环己烷类化合物的式子如下：其中R代表有机残基，##STR2##代表未取代或取代的含硅环己基或1,4-环己基，##STR3##代表未取代或取代的苯基，未取代或取代的含硅环己基或反-4-硅-1,4-环己基，或1,4-环己基，前提是至少其中一个残基代表含硅环己基，m、n、i、k和l分别为0或1，前提是j+l=0或1且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。还描述了包含上述式子的硅环己烷类化合物的液晶组合物，以及包括该组合物的液晶装置。
• Silacyclohexanone compound and a method of preparing a
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US05641431A1

  公开（公告）日：1997-06-24

  A silacyclohexanone compound represented by the following general formula (I). ##STR1## wherein Ar denotes a phenyl group or a tolyl group. R denotes a tolyl group, a linear-chain alkyl group with a carbon number of 2-10, a mono- or di-fluoroalkyl group with a carbon number of 1-10, a branched-chain alkyl group with a carbon number of 3-8 or an alkoxyalkyl group with a carbon number of 2-7. Also, a method of manufacturing silacyclohexane-type liquid crystal compounds represented by the general formula (II) ##STR2## and the general formula (III) ##STR3## which are derived from this compound.

  以下是一种由下列通式（I）表示的硅杂环己酮化合物：##STR1## 其中，Ar表示苯基或甲苯基。R表示甲苯基，具有2-10个碳原子的线性链烷基，具有1-10个碳原子的单氟或双氟烷基，具有3-8个碳原子的支链烷基或具有2-7个碳原子的烷氧基烷基。此外，还提供了一种制造由通式（II）##STR2## 和通式（III）##STR3## 表示的硅杂环己烷型液晶化合物的方法，这些化合物是由该化合物衍生而来的。
• Triflate compounds and process for preparing silacyclohexane-based
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US05582765A1

  公开（公告）日：1996-12-10

  A triflate compound of the following general formula is provided ##STR1## wherein Ar represents a phenyl group or a tolyl group, 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, an alkoxyalkyl group having from 2 to 7 carbon atoms and an alkenyl group having from 2 to 8 carbon atoms, Tf represents a trifluoromethanesulfonyl group, and Y represents H or F. A process for preparing silacyclohexane-based liquid crystal compounds from the triflate compound is also described.

  提供以下一般式的三氟甲烷磺酰基化合物：##STR1## 其中Ar代表苯基或甲苯基，R代表苯基、甲苯基、具有1-10个碳原子的直链烷基、具有1-10个碳原子的单氟或双氟烷基、具有3-8个碳原子的支链烷基、具有2-7个碳原子的烷氧基烷基和具有2-8个碳原子的烯基，Tf代表三氟甲烷磺酰基，Y代表H或F。还描述了从三氟甲烷磺酰基化合物制备硅环己烷基液晶化合物的过程。
• Silacyclohexane carbaldehyde compounds and processes for preparing
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US05527490A1

  公开（公告）日：1996-06-18

  A silacyclohexane carbaldehyde compound of the following formula (I) ##STR1## wherein Ar represents a phenyl group or a tolyl group, and R represents a phenyl group, a tolyl group, a linear alkyl group, a mono or difluoroalkyl group, a branched alkyl group, an alkoxyalkyl group or an alkenyl group. Processes for preparing a silacyclohexane-based liquid crystal compound of the following formula (II) or (III) from the silacyclohexane carbaldehyde are also described ##STR2## wherein X represents CN, F, Cl, CF.sub.3, CClF.sub.2, CHClF, OCF.sub.3, OCClF.sub.2, OCHF.sub.2, OCHClF, (O).sub.m CT=CX.sub.1 X.sub.2, O(CH.sub.2).sub.r (CF.sub.2).sub.s X.sub.3, R or OR wherein m is a value of 0 or 1, T and X.sub.1 independently represent H, F or Cl, X.sub.2 represents F or Cl, r and s are, respectively, a value of 0, 1 or 2 provided that r+s=2, 3 or 4, X.sub.3 represents H, F or Cl, and R has the same meaning as defined before, Y and Z independently represent a halogen or a methyl group, i and j are independently a value of 0, 1 or 2.

  以下是化学式（I）的硅环已烷羰基化合物： ##STR1## 其中Ar代表苯基或甲苯基，R代表苯基、甲苯基、线性烷基、单或双氟烷基、支链烷基、烷氧基烷基或烯基。还描述了从硅环已烷羰基化合物制备以下化学式（II）或（III）的硅环已烷基液晶化合物的过程： ##STR2## 其中，X代表CN，F，Cl，CF.sub.3，CClF.sub.2，CHClF，OCF.sub.3，OCClF.sub.2，OCHF.sub.2，OCHClF，(O).sub.m CT=CX.sub.1 X.sub.2，O(CH.sub.2).sub.r (CF.sub.2).sub.s X.sub.3，R或OR，其中m的值为0或1，T和X.sub.1独立地表示H，F或Cl，X.sub.2表示F或Cl，r和s分别为0、1或2的值，但需要满足r+s=2、3或4，X.sub.3表示H，F或Cl，R的含义与前面定义的相同，Y和Z独立地表示卤素或甲基基团，i和j独立地表示0、1或2的值。