2-(4-丙基环己基)环氧丙烷 | 1207563-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 中文名称: 2-(4-丙基环己基)环氧丙烷
• 英文名称: 2-(trans-4-propyl-cyclohexyl) oxetane
• 英文别名: 2-(trans-4-Propylcyclohexyl)oxetane；2-(4-propylcyclohexyl)oxetane
• CAS: 1207563-61-8
• 化学式: C₁₂H₂₂O
• 分子量: 182.306
• InChiKey: WGFGUJMDTAVDBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(4-丙基环己基)环氧丙烷 在 三氟乙酸 、 lithium diisopropyl amide 作用下， 以 二氯甲烷 为溶剂， 生成 3-(4-Ethylcyclohexyl)-6-(4-propylcyclohexyl)oxan-2-one
  参考文献：
  名称：

  新型液晶四氢吡喃衍生物

  摘要：

  我们合成了具有向列和近晶行为的四氢吡喃的新型低极性衍生物。量子化学计算表明，环己烷和四氢吡喃衍生物的最长构象异构体具有几乎相同的分子形状。不同的液晶行为可以通过偏离最细长形状的构象异构体的不同量来解释。已经计算了 Δϵ 和 Δn，并与通过从基本混合物外推获得的实验数据进行了比较。溶解在碱性混合物中的二环化合物具有低阶参数和极好的溶解性。通过线性外推，双环化合物具有负粘度，但通过对数外推为正。

  DOI：

  10.1080/15421400903065705
• 作为产物：
  描述：

  2-(4-ethoxy-2-fluoro-3-trimethylsilylphenyl)acetate 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 2-(4-丙基环己基)环氧丙烷
  参考文献：
  名称：

  Liquid crystal compound showing negative dielectric anisotropy, liquid crystal composition and liquid crystal display device

  摘要：

  提供一种具有大负介电各向异性值(Δ∈)的液晶化合物。该化合物由公式(1)表示：其中，在公式(1)中，Y1和Y2中的一个是氟，另一个是CF2H或CF3；G是由公式(pr-1)或公式(pr-2)表示的环：其中，A1到A3独立地为1,4-环己基或1,4-苯基；Ra和Rb独立地为氢、具有1到20个碳的烷基或类似物；Z0和Z1到Z3独立地为单键、-(CH2)2-、-CH═CH-、-CF2O-、-OCF2-、-CH2O-、-OCH2-、-COO-或-OCO-；j、m和n为0到2的整数，j、m和n的总和为0、1或2，但当m为0时，Y1为CF2H或CF3，Y2为氟，Z0为单键，G是由公式(pr-1)表示的环。

  公开号：

  US09102871B2

文献信息

• Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device
  申请人：Goto Mayumi

  公开号：US20070108410A1

  公开（公告）日：2007-05-17

  A nematic liquid crystal compound represented by any one of formulas (a-1) to (a-6): in formulas (a-1) to (a-6), Ra and Rb are each independently hydrogen or alkyl having 1 to 10 carbons, provided that in the alkyl, —CH2- may be replaced by —O—, —(CH2)2- may be replaced by —CH═CH—, and hydrogen may be replaced by a halogen; ring A1 and ring A2 are each independently trans-1,4-cyclohexylene or 1,4-phenylene, provided that in these rings hydrogen may be replaced by a halogen, and in the case where the ring is trans-1,4-cyclohexylene, —CH2- may be replaced by —O—, and —CH2CH— may be replaced by —CH═C—; and Z1 and Z2 are each independently a single bond, —COO—, —OCO—, —OCH2-, —CH2O— or —CH2CH2-, provided that in formula (a-3), in the case where ring A2 is trans-1,4-cyclohexylene, Z2 is a single bond, —COO—, —OCO—, —OCH2- or —CH2O—, in the case where Ra is —C3H7, Rb is —OC2H5, and Z2 is a single bond, ring A2 is trans-1,4-cyclohexylene, 1,3-dioxane-2,5-diyl, 2-fluoro-1,4-phenylene, 3-fluoro-1,4-phenylene, 2-fluoro-3-chloro-1,4-phenylene, 2-chloro-3-fluoro-1,4-phenylene or 2,3-dichloro-1,4-phenylene, and in formula (a-4), in the case where ring A1 is trans-1,4-cyclohexylene, Z1 is a single bond, —COO—, —OCO—, —OCH2O—.

  任何一个式子(a-1)到(a-6)所代表的向列相液晶化合物： 在式子(a-1)到(a-6)中，Ra和Rb各自独立地代表氢或有1到10个碳的烷基，其中在烷基中，-CH2-可以被- O-代替，-( )2-可以被-CH═CH-代替，氢可以被卤素代替；环A1和环A2各自独立地代表反式1,4-环己烷基或1,4-苯基，其中在这些环中，氢可以被卤素代替，在环为反式1,4-环己烷基的情况下，- -可以被-O-代替，而- CH-可以被-CH═C-代替；Z1和Z2各自独立地代表单键，-COO-，-OCO-，-O -，- O-或- -，其中在式子(a-3)中，在环A2为反式1,4-环己烷基的情况下，Z2为单键，-COO-，-OCO-，-O -或- O-，在Ra为-C3H7，Rb为-OC2H5，且Z2为单键的情况下，环A2为反式1,4-环己烷基，1,3-二氧六环基，2-氟-1,4-苯基，3-氟-1,4-苯基，2-氟-3-氯-1,4-苯基，2-氯-3-氟-1,4-苯基或2,3-二氯-1,4-苯基，在式子(a-4)中，在环A1为反式1,4-环己烷基的情况下，Z1为单键，-COO-，-OCO-，-O O-。
• Liquid Crystal Compound Having Lactone Ring, Liquid Crystal Composition, And Liquid Crystal Display Device
  申请人：GOTO Mayumi

  公开号：US20100038588A1

  公开（公告）日：2010-02-18

  A nematic liquid crystal compound represented by any one of formulas (a-1) to (a-6): in formulas (a-1) to (a-6), Ra and Rb are each independently hydrogen or alkyl having 1 to 10 carbons, provided that in the alkyl, —CH2- may be replaced by —O—, —(CH2)2- may be replaced by —CH═CH—, and hydrogen may be replaced by a halogen; ring A1 and ring A2 are each independently trans-1,4-cyclohexylene or 1,4-phenylene, provided that in these rings hydrogen may be replaced by a halogen, and in the case where the ring is trans-1,4-cyclohexylene, —CH2- may be replaced by —O—, and —CH2CH— may be replaced by —CH═C—; and Z1 and Z2 are each independently a single bond, —COO—, —OCO—, —OCH2-, —CH2O— or —CH2CH2-, provided that in formula (a-3), in the case where ring A2 is trans-1,4-cyclohexylene, Z2 is a single bond, —COO—, —OCO—, —OCH2- or —CH2O—, in the case where Ra is —C3H7, Rb is —OC2H5, and Z2 is a single bond, ring A2 is trans-1,4-cyclohexylene, 1,3-dioxane-2,5-diyl, 2-fluoro- 1,4 -phenylene, 3-fluoro-1,4-phenylene, 2-fluoro-3-chloro-1,4-phenylene, 2-chloro- 3 -fluoro-3,4-phenylene or 2,3-dichloro-1,4-phenylene, and in formula (a-4), in the case where ring A1 is trans-1,4-cyclohexylene, Z1 is a single bond, —COO—, —OCO—, —OCH2- or —CH2O—.

  任意一种由公式(a-1)到(a-6)中的任意一种表示的向列相液晶化合物:在公式(a-1)到(a-6)中，Ra和Rb分别独立地表示氢或具有1到10个碳的烷基，但在烷基中，—CH2-可以被—O—替换，—( )2-可以被—CH═CH—替换，并且氢可以被卤素替换;环A1和环A2分别独立地表示反式1,4-环己烯基或1,4-苯基，但在这些环中氢可以被卤素替换，在环为反式1,4-环己烯基的情况下，— -可以被—O—替换，— CH—可以被—CH═C—替换;Z1和Z2分别独立地表示单键、—COO—、—OCO—、—O -、— O—或— -，但在公式(a-3)中，在环A2为反式1,4-环己烯基的情况下，Z2为单键、—COO—、—OCO—、—O -或— O—，在Ra为—C3H7，Rb为—OC2H5，Z2为单键，环A2为反式1,4-环己烯基，1,3-二氧杂环戊烷-2,5-二基，2-氟-1,4-苯基，3-氟-1,4-苯基，2-氟-3-氯-1,4-苯基，2,3-二氯-1,4-苯基，在公式(a-4)中，在环A1为反式1,4-环己烯基的情况下，Z1为单键、—COO—、—OCO—、—O -或— O—。
• TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Masukawa Tokifumi

  公开号：US20120145958A1

  公开（公告）日：2012-06-14

  A compound represented by formula (1-1) or (1-2) is provided. For example, R 1 and R 2 are independently hydrogen, alkyl having 1 to 10 carbons or alkoxy having 1 to 9 carbons; the ring A 1 , the ring A 2 , the ring A 3 , the ring A 4 , the ring A 5 and the ring A 6 are independently 1,4-cyclohexylene or 1,4-phenylene; a, b, c, d, e and f are independently 0 or 1, and the sum of a, b, c, d, e and f is 2; and g, h, i, j, k and l are independently 0 or 1, and the sum of g, h, i, j, k and l is 2.

  提供了由式(1-1)或(1-2)表示的化合物。例如，R1和R2分别独立地表示氢、具有1至10个碳的烷基或具有1至9个碳的烷氧基；环A1、环A2、环A3、环A4、环A5和环A6分别独立地表示1,4-环己基或1,4-苯基；a、b、c、d、e和f分别独立地表示0或1，且a、b、c、d、e和f的和为2；而g、h、i、j、k和l分别独立地表示0或1，且g、h、i、j、k和l的和为2。
• FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Hirata Kenji

  公开号：US20110297881A1

  公开（公告）日：2011-12-08

  The invention provides a liquid crystal compound that has a large negative dielectric anisotropy (Δ∈) and also has at least one of characteristics such as the stability to heat, light or the like, a high clearing point, a suitable refractive index anisotropy (Δn), a large negative dielectric anisotropy (Δ∈) and an excellent compatibility with other liquid crystal compounds. An excellent effect in which especially the value of the dielectric anisotropy (Δ∈) is increased negatively is achieved by use of the compound having two moieties of 1) a tetrahydropyran ring and and thus the effect is utilized.

  本发明提供了一种液晶化合物，具有较大的负介电各向异性（Δ∈），并且具有至少一种特性，如耐热性、耐光性等稳定性，高清晰点，适当的折射率各向异性（Δn），较大的负介电各向异性（Δ∈）和与其他液晶化合物的良好相容性。通过使用具有1）四氢吡喃环和2）二苯基甲烷基团的化合物，特别是负介电各向异性（Δ∈）值得到提高，从而利用了该效应。
• TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS
  申请人：JNC Corporation

  公开号：EP2468740A1

  公开（公告）日：2012-06-27

  Subject The subject is to provide a liquid crystal compound not only having a large negative dielectric anisotropy, a high clearing point and a low viscosity, but also having at least one of characteristics such as stability to heat, light or the like, a suitable refractive index anisotropy, a large negative dielectric anisotropy and an excellent compatibility with other liquid crystal compounds. Means for Solving the Subject The invention provides a compound represented by formula (1-1) or (1-2). For example, R1 and R2 are independently hydrogen, alkyl having 1 to 10 carbons or alkoxy having 1 to 9 carbons; the ring A1, the ring A2, the ring A3, the ring A4, the ring A5 and the ring A6 are independently 1,4-cyclohexylene or 1,4-phenylene; a, b, c, d, e and f are independently 0 or 1, and the sum of a, b, c, d, e and f is 2; and g, h, i, j, k and 1 are independently 0 or 1, and the sum of g, h, i, j, k and 1 is 2.

  主题 本课题旨在提供一种液晶化合物，该化合物不仅具有较大的负电介电各向异性、较高的澄明点和较低的粘度，而且还具有对热、光等的稳定性、适当的折射率各向异性、较大的负电介电各向异性以及与其他液晶化合物的良好兼容性等特性中的至少一种。 解决本课题的方法 本发明提供了一种由式（1-1）或（1-2）表示的化合物。 例如，R1 和 R2 独立地为氢、具有 1 至 10 个碳原子的烷基或具有 1 至 9 个碳原子的烷氧基；环 A1、环 A2、环 A3、环 A4、环 A5 和环 A6 独立地为 1,4-环己烯或 1,4-亚苯基；a、b、c、d、e 和 f 独立地为 0 或 1，且 a、b、c、d、e 和 f 之和为 2；以及 g、h、i、j、k 和 1 独立地为 0 或 1，且 g、h、i、j、k 和 1 之和为 2。