1-(4-butyloxyphenyl)-2-(3,5-difluoro-4-isothiocyanato phenyl) ethyne | 356798-24-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-butyloxyphenyl)-2-(3,5-difluoro-4-isothiocyanato phenyl) ethyne
• 英文别名: 5-[(4-Butoxyphenyl)ethynyl]-1,3-difluoro-2-isothiocyanatobenzene；5-[2-(4-butoxyphenyl)ethynyl]-1,3-difluoro-2-isothiocyanatobenzene
• CAS: 356798-24-8
• 化学式: C₁₉H₁₅F₂NOS
• 分子量: 343.397
• InChiKey: HHGDJIAUWCCEGD-UHFFFAOYSA-N

物化性质

• 沸点：
  460.9±45.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  53.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对溴丁氧基苯 在 氢氧化钾 、 copper(l) iodide 、 四(三苯基膦)钯 、 正丁基锂 、 三乙胺 、 calcium carbonate 、 zinc(II) chloride 作用下， 以 四氢呋喃 、 氯仿 、 水 、 甲苯 为溶剂， 反应 47.0h， 生成 1-(4-butyloxyphenyl)-2-(3,5-difluoro-4-isothiocyanato phenyl) ethyne
  参考文献：
  名称：

  High Birefringence Nematic Liquid Crystals for Display and Telecom Applications

  摘要：

  Several compounds with high birefringence and having tolane structure were synthesized. For a high polarizability, isothiocyanato (NCS) terminal group was introduced. Another goal of this study was reduction of melting point and smectic phases by introduction of fluorine as lateral substituent. The transition temperatures for all the synthesized compounds and the refractive and dielectric indices for one of the compounds have been determined. Electro-optic (EO) measurements were also performed.

  DOI：

  10.1080/15421400490434829

文献信息

• [EN] OPTICAL COMPONENT<br/>[FR] COMPOSANT OPTIQUE
  申请人：MERCK PATENT GMBH

  公开号：WO2022008474A1

  公开（公告）日：2022-01-13

  The present invention relates to an optical component comprising a liquid crystal (LC) medium, operable in the infrared region of the electromagnetic spectrum. The invention further relates to the use of said LC medium in the infrared (IR) region and to devices comprising said optical component. The present invention further relates to an LC medium comprising one or more compounds of the formulae I, II, and III in which the occurring groups and parameters have the meanings defined in claim 1, and preferably one or more compounds of the formula RO in which the occurring groups and parameters have the meanings defined in claim 2.
• High Birefringence Nematic Liquid Crystals for Display and Telecom Applications
  作者：Carmen Catanescu、L.-C. Chien、Shin-Tson Wu

  DOI：10.1080/15421400490434829

  日期：2004.1

  Several compounds with high birefringence and having tolane structure were synthesized. For a high polarizability, isothiocyanato (NCS) terminal group was introduced. Another goal of this study was reduction of melting point and smectic phases by introduction of fluorine as lateral substituent. The transition temperatures for all the synthesized compounds and the refractive and dielectric indices for one of the compounds have been determined. Electro-optic (EO) measurements were also performed.