4-[6-(tetrahydropyran-2-yloxy)hexyloxy]phenyl acetylene | 303045-03-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[6-(tetrahydropyran-2-yloxy)hexyloxy]phenyl acetylene
• 英文别名: 4-[6-(Tetrahydropyran-2-yloxy)hexyloxy]phenylacetylene；2-[6-(4-ethynylphenoxy)hexoxy]oxane
• CAS: 303045-03-6
• 化学式: C₁₉H₂₆O₃
• 分子量: 302.414
• InChiKey: KNEOGDXGNAJBMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-bromo-6-(6-hydroxyhexyloxy)naphthalene 、 4-[6-(tetrahydropyran-2-yloxy)hexyloxy]phenyl acetylene 在 碘化亚铜 、 双三苯基磷二氯化钯 、 三苯基膦 氩 、 cyclohexane, ethyl acetate 作用下， 以 三乙胺 为溶剂， 反应 2.0h， 以to give 5.10 g of 6-[6-[4-[6-(tetra-hydropyran-2-yloxy)hexyloxy]phenylethyny]naphthalen-2-yloxy]hexan-1-ol as a white powder的产率得到6-[6-[4-[6-(Tetrahydropyran-2-yloxy)hexyloxy]phenylethynyl]-naphthalen-2-yloxy]hexan-1-ol
  参考文献：
  名称：

  Liquid crystal compounds

  摘要：

  公式 I 的化合物：其中变量的定义如公开说明书所述。本发明还提供了液晶混合物和包括公式 (I) 化合物的光学或电光设备。

  公开号：

  US06746729B1
• 作为产物：
  描述：

  4-Bromo-1-[6-(tetrahydropyran-2-yloxy)hexyloxy]benzene 、 2-甲基-3-丁炔-2-醇 在 碘化亚铜 、 双三苯基磷二氯化钯 、 三苯基膦 氩 、 Toluene triethylamine 、 氢氧化钾 、 silica gel 作用下， 以 三乙胺 为溶剂， 反应 16.0h， 以to give 12.28 g of 4-[6-(tetrahydropyran-2-yloxy)hexyloxy]phenylacetylene as a red oil的产率得到4-[6-(tetrahydropyran-2-yloxy)hexyloxy]phenyl acetylene
  参考文献：
  名称：

  Liquid crystal compounds

  摘要：

  公式 I 的化合物：其中变量的定义如公开说明书所述。本发明还提供了液晶混合物和包括公式 (I) 化合物的光学或电光设备。

  公开号：

  US06746729B1

文献信息

• Liquid crystalline compounds
  申请人：Rolic AG

  公开号：EP1046631A1

  公开（公告）日：2000-10-25

  The invention provides compounds of formula I: wherein A1 to A4are independently selected from the group consisting hydrogen, a methyl group and a hydrocarbon group containing from 2 to 80 carbon atoms in which one or more carbon atoms are optionally replaced by a heteroatom selected from the group consisting -O-, -S- and -N- with the proviso that firstly no two heteroatoms are joined together and secondly that at least one of A1 to A4 includes a polymerisable group; B1represents a hydrocarbon group containing from 4 to 80 carbon atoms, in which one or more carbon atoms are optionally replaced by a heteroatom selected from the group consisting -O-, -S- and -N- with the proviso that no two heteroatoms are joined together; MG1 and MG2are the same or different and each independently represents an aromatic or non-aromatic carbocyclic or heterocyclic ring system containing from 1 to 80 carbon atoms, with the proviso that firstly at least one of MG1 and MG2 comprises at least two ring systems and secondly, when MG1 and MG2 are identical each of A1 and A2 or A3 and A4 are different. The invention also provides liquid crystalline mixtures and optical or electro-optical devices including compounds of formula (I).

  本发明提供了式I的化合物：其中A1至A4分别选自由氢、甲基和含有2至80个碳原子的烃基，其中一个或多个碳原子可以被选自-O-、-S-和-N-的杂原子替代，但要求首先没有两个杂原子连接在一起，其次A1至A4中至少一个包括可聚合基团；B1表示含有4至80个碳原子的烃基，在其中一个或多个碳原子可以被选自-O-、-S-和-N-的杂原子替代，但要求没有两个杂原子连接在一起；MG1和MG2相同或不同，且每个独立地表示含有1至80个碳原子的芳香或非芳香的碳环或杂环系统，但要求首先至少有一个MG1和MG2包括至少两个环系统，其次当MG1和MG2相同时，A1和A2或A3和A4中的每一个都不同。本发明还提供了液晶混合物和包括式（I）化合物的光学或电光器件。
• LIQUID CRYSTAL COMPOUNDS
  申请人：Rolic AG

  公开号：EP1187802A1

  公开（公告）日：2002-03-20
• US6746729B1
  申请人：——

  公开号：US6746729B1

  公开（公告）日：2004-06-08
• [EN] LIQUID CRYSTAL COMPOUNDS<br/>[FR] COMPOSES DE CRISTAUX LIQUIDES
  申请人：ROLIC AG

  公开号：WO2000063154A1

  公开（公告）日：2000-10-26

  The invention provides compounds of formula (I), wherein A1 to A4 are independently selected from the group consisting hydrogen, a methyl group and a hydrocarbon group containing from 2 to 80 carbon atoms in which one or more carbon atoms are optionally replaced by a heteroatom selected from the group consisting -O-, -S- and -N- with the proviso that firstly no two heteroatoms are joined together and secondly that at least one of A1 to A4 includes a polymerisable group; B1 represents a hydrocarbon group containing from 4 to 80 carbon atoms, in which one or more carbon atoms are optionally replaced by a heteroatom selected from the group consisting -O-, -S- and -N- with the proviso that no two heteroatoms are joined together; MG?1 and MG2¿ are the same or different and each independently represents an aromatic or non-aromatic carbocyclic or heterocyclic ring system containing from 1 to 80 carbon atoms, with the proviso that firstly at least one of MG?1 and MG2¿ comprises at least two ring systems and secondly, when MG?1 and MG2¿ are identical each of A?1 and A2 or A3 and A4¿ are different. The invention also provides liquid crystalline mixtures and optical or electro-optical devices including compounds of formula (I).
• Liquid crystal compounds
  申请人：Rolic AG

  公开号：US06746729B1

  公开（公告）日：2004-06-08

  Compounds of formula I: wherein the variables are defined as explained in the disclosure. The invention also provides liquid crystalline mixtures and optical or electro-optical devices including compounds of formula (I).

  公式 I 的化合物：其中变量的定义如公开说明书所述。本发明还提供了液晶混合物和包括公式 (I) 化合物的光学或电光设备。