4-丁氧基-2,6-二氟苯甲酸 | 123843-56-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-丁氧基-2,6-二氟苯甲酸
• 英文名称: 4-butoxy-2,6-difluorobenzoic acid
• 英文别名: 4-butyloxy-2,6-difluorobenzoic acid
• CAS: 123843-56-1
• 化学式: C₁₁H₁₂F₂O₃
• 分子量: 230.211
• InChiKey: CSCQGLAJIXARHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  112-115°

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  氰基联苯酚 、 4-丁氧基-2,6-二氟苯甲酸 在 4-吡咯烷基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以54%的产率得到4-cyanobiphenyl-4'-yl 4-butoxy-2,6-difluorobenzoate
  参考文献：
  名称：

  Gray, G. W.; Hird, M.; Lacey, D., Molecular Crystals and Liquid Crystals (1969-1991), 1989, vol. 172, p. 165 - 190

  摘要：

  DOI：
• 作为产物：
  描述：

  1-丁氧基-3,5-二氟苯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.5h， 以96%的产率得到4-丁氧基-2,6-二氟苯甲酸
  参考文献：
  名称：

  Gray, G. W.; Hird, M.; Lacey, D., Molecular Crystals and Liquid Crystals (1969-1991), 1989, vol. 172, p. 165 - 190

  摘要：

  DOI：

文献信息

• [EN] CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS<br/>[FR] DERIVES DE CYANOPYRIDONE UTILISES SOUS FORME DE CRISTAUX LIQUIDES
  申请人：MERCK PATENT GMBH

  公开号：WO2004074253A1

  公开（公告）日：2004-09-02

  The invention relates to cyanopyridone derivatives, to their use in liquid crystal media, liquid crystal devices, anisotropic polymers, optical, electrooptical, decorative, security, cosmetic, diagnostic, pharmaceutic, electric, electronic, charge transport, semiconductor, optical recording, electroluminescent, photoconductor and electrophotographic applications, and to liquid crystal media, polymers and displays comprising them.

  该发明涉及氰吡啶酮衍生物，其在液晶介质、液晶器件、各种聚合物、光学、电光学、装饰、安全、化妆品、诊断、药物、电气、电子、电荷传输、半导体、光记录、电致发光、光电导体和电子摄影应用中的使用，以及包含它们的液晶介质、聚合物和显示器。
• Laterally fluorinated 4-cyanophenyl and 4'-cyanobiphenyl benzoates
  申请人：The Secretary of State for for Defence in Her Britannic Majesty's

  公开号：US05156763A1

  公开（公告）日：1992-10-20

  Laterally fluorinated 4-cyanophenyl and 4'-cyanobiphenyl benzoates are diosed of general formula I: ##STR1## in which R is R.sup.1 or R.sup.1 O, wherein R.sup.1 is C.sub.1 -C.sub.12 alkyl, m and n are 0 or 1 provided that (n+m) is 0 or 1, each of a, b, c and d are independently 0 or 1, provided (a+b+c+d) is not zero, but excluding the case where a and b are 0 and one of c and d is 0, being useful constituents of nematic liquid crystal materials.

  侧向氟代的4-氰基苯基和4'-氰基联苯基苯甲酸酯是一般式I的二聚体：##STR1## 其中R是R.sup.1或R.sup.1 O，其中R.sup.1是C.sub.1-C.sub.12烷基，m和n为0或1，前提是(n+m)为0或1，a、b、c和d中的每一个都是独立的0或1，前提是(a+b+c+d)不为零，但不包括a和b为0和c和d中的一个为0的情况，是向列相液晶材料中有用的组分。
• Cyanopyridone derivatives as liquid crystals
  申请人：Farrand Diane Louise

  公开号：US20060165916A1

  公开（公告）日：2006-07-27

  The invention relates to cyanopyridone derivatives, to their use in liquid crystal media, liquid crystal devices, anisotropic polymers, optical, electrooptical, decorative, security, cosmetic, diagnostic, pharmaceutic, electric, electronic, charge transport, semiconductor, optical recording, electroluminescent, photoconductor and electrophotographic applications, and to liquid crystal media, polymers and displays comprising them.

  本发明涉及氰基吡啶酮衍生物，涉及它们在液晶介质、液晶器件、各向异性聚合物、光学、光电、装饰、安全、美容、诊断、制药、电气、电子、电荷传输、半导体、光学记录、电致发光、光电导体和电子照相等应用中的用途，还涉及由它们组成的液晶介质、聚合物和显示器。
• Synthesis and Mesomorphic Properties of Two Series of Laterally Fluorinated Symmetric Ester Liquid Crystals
  作者：Qiang Wei、Xiaotao Yuan、Lipei Zhang、Liping Wang、Huai Yang、Yangbin Wang

  DOI：10.1080/15421400802198359

  日期：2008.7.30

  Two series of symmetric ester liquid crystals (nAFBHQ and nADFBHQ) with lateral fluorine atoms have been synthesized. Their chemical structures were measured by FTIR, H-1 NMR, and elemental analysis (EA). Their mesomorphic properties were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). It was found that both series showed nematic phase only. And their melting point and clearing point decreased with the number of carbon atoms in alkoxy group. It can also be found that nAFBHQ have approximately the same temperatures of melting point but much higher temperatures of clearing point than their corresponding compound in nADFBHQ series.
• LATERALLY FLUORINATED 4-CYANOPHENYL AND 4'-CYANOBIPHENYL BENZOATES
  申请人：The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and

  公开号：EP0407438A1

  公开（公告）日：1991-01-16