2-氟-4-n-辛基氧基苯乙酮 | 203066-98-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氟-4-n-辛基氧基苯乙酮
• 中文别名: 2,6-二氟苯基乙酰氯
• 英文名称: fluoro-4-octyloxyacetophenone
• 英文别名: 2'-Fluoro-4'-octyloxyacetophenone；1-(2-fluoro-4-octoxyphenyl)ethanone
• CAS: 203066-98-2
• 化学式: C₁₆H₂₃FO₂
• mdl: MFCD00142716
• 分子量: 266.356
• InChiKey: YADHYLAWFKTTCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.562
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 安全说明：
  S26,S36/37/39

反应信息

• 作为反应物：
  描述：

  2-氟-4-n-辛基氧基苯乙酮 在 sodium hydroxide 、 溴 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-氟-4-(辛基氧基)-苯甲酸
  参考文献：
  名称：

  Influence of fluoro substituents on the mesophase behaviour of banana-shaped molecules

  摘要：

  基于间苯二甲酸酯作为中心核以及偶氮次甲基键合，本文介绍了三种新的弯形五环液晶系列。它们的外环上卤素取代基的数量和位置不同。这种侧向取代强烈影响所形成的介晶相类型。为了确定沿不同分子电荷分布的改变，进行了计算。

  DOI：

  10.1039/b201467j
• 作为产物：
  描述：

  3-氟苯酚 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-氟-4-n-辛基氧基苯乙酮
  参考文献：
  名称：

  Effects of Fluoro-Substitution on Mesogenic Properties of Copper and Oxovanadium(IV) Complexes Derived from β-(4=Alkoxyphenyl)- Dialdehydes

  摘要：

  Fluoro-substitution in the phenyl ring of some beta-(4-alkoxyphenyl)-dialdehydes markedly affects the mesophase behaviour of their copper(II) and oxovanadium(IV) complexes. Fluoro-substitution in the 2-position of the octyl and decyl copper(II) derivatives lowers melting and clearing temperatures, whereas substitution in the 3-position lowers only the former. Fluoro-substitution in the 5-position of the corresponding oxovanadium(IV) complexes usually lowers the melting point, but inhibits mesophase formation.

  DOI：

  10.1080/10587259608034083

文献信息

• Novel halogen-containing ester compounds, and their intermediates, and
  申请人：Nippon Mining Co., Ltd.

  公开号：US05098602A1

  公开（公告）日：1992-03-24

  This invention provides a novel halogen-containing ester compound represented by the following general formula (I): ##STR1## (wherein R is an alkyl group, A is selected from a single bond, --O--, --COO-- and --CO--, both of X and Y are halogen atoms or either one of X and Y is a halogen atom and the other is a hydrogen atom, each of m and n is 0 or 1, m+n=0 or 1, each of k and l is an integer of 1 or more, provide k<l), a liquid crystal composition and a light switching element each containing the above compound as well as a novel fluorophenol compound represented by the following general formula (II): ##STR2## (wherein each of k and l is an integer of 1 or more, provided k<l) as an intermediate for the synthesis of the above ester compound and a method of producing the same.

  这项发明提供了一种新颖的含卤酯基化合物，其通式为(I)：##STR1##（其中R是烷基，A从单键、-O-、-COO-和-CO-中选择，X和Y均为卤素原子或X和Y中的一个为卤素原子另一个为氢原子，m和n分别为0或1，m+n=0或1，k和l分别为1或更多的整数，提供k
• US5098602A
  申请人：——

  公开号：US5098602A

  公开（公告）日：1992-03-24
• Influence of fluoro substituents on the mesophase behaviour of banana-shaped molecules
  作者：J. P. Bedel、J. C. Rouillon、J. P. Marcerou、M. Laguerre、H. T. Nguyen、M. F. Achard

  DOI：10.1039/b201467j

  日期：2002.7.26

  Three new series of bent-shaped five-ring liquid crystals, based on the ester of isophthalic acid as the central core and azomethine linkages, are presented. They differ by the number and the position of halogeno substituents on the outer rings. This lateral substitution strongly influences the type of mesophases formed. Calculations were performed to determine the modification of the distribution of charge along the different molecules.

  基于间苯二甲酸酯作为中心核以及偶氮次甲基键合，本文介绍了三种新的弯形五环液晶系列。它们的外环上卤素取代基的数量和位置不同。这种侧向取代强烈影响所形成的介晶相类型。为了确定沿不同分子电荷分布的改变，进行了计算。
• Effects of Fluoro-Substitution on Mesogenic Properties of Copper and Oxovanadium(IV) Complexes Derived from β-(4=Alkoxyphenyl)- Dialdehydes
  作者：A. B. Blake、J. R. Chipperfield、S. Clark

  DOI：10.1080/10587259608034083

  日期：1996.1

  Fluoro-substitution in the phenyl ring of some beta-(4-alkoxyphenyl)-dialdehydes markedly affects the mesophase behaviour of their copper(II) and oxovanadium(IV) complexes. Fluoro-substitution in the 2-position of the octyl and decyl copper(II) derivatives lowers melting and clearing temperatures, whereas substitution in the 3-position lowers only the former. Fluoro-substitution in the 5-position of the corresponding oxovanadium(IV) complexes usually lowers the melting point, but inhibits mesophase formation.