Tert-butyl 2-(trans-4-ethylcyclohexyl)acetate | 1207563-62-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Tert-butyl 2-(trans-4-ethylcyclohexyl)acetate
• 英文别名: tert-butyl 2-(4-ethylcyclohexyl)acetate
• CAS: 1207563-62-9
• 化学式: C₁₄H₂₆O₂
• 分子量: 226.359
• InChiKey: PBUSSFRNAYYESH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Tert-butyl 2-(trans-4-ethylcyclohexyl)acetate 在 二异丁基氢化铝 、 三氟乙酸 、 lithium diisopropyl amide 作用下， 以 二氯甲烷 为溶剂， 生成
  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

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—。
• US7618688B2
  申请人：——

  公开号：US7618688B2

  公开（公告）日：2009-11-17
• US7875327B2
  申请人：——

  公开号：US7875327B2

  公开（公告）日：2011-01-25