(4-ethoxy-3-fluoro-2-formylphenyl)boronic acid | 1246404-48-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4-ethoxy-3-fluoro-2-formylphenyl)boronic acid
• 英文别名: 4-Ethoxy-3-fluoro-2-formylphenylboronic acid
• CAS: 1246404-48-7
• 化学式: C₉H₁₀BFO₄
• 分子量: 211.985
• InChiKey: VLMZKIWLAAGVCK-UHFFFAOYSA-N

物化性质

• 沸点：
  408.8±55.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.28
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-ethoxy-3-fluoro-2-formylphenyl)boronic acid 在 正丁基锂 、 二乙胺基三氟化硫 、 四丁基溴化铵 、 3-乙基-5-(2-羟乙基)-4-甲基噻唑溴化物 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 15.0h， 生成 7-ethoxy-1,8,9,9,10,10-hexafluoro-9,10-dihydrophenanthrene-2-ol
  参考文献：
  名称：

  COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE

  摘要：

  公开号：

  EP2669263B1
• 作为产物：
  描述：

  6-溴-3-乙氧基-2-氟苯甲醛 在 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 4.0h， 生成 (4-ethoxy-3-fluoro-2-formylphenyl)boronic acid
  参考文献：
  名称：

  COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE

  摘要：

  公开号：

  EP2669263B1

文献信息

• Synthesis and Biological Evaluation of Novel Benzoxaboroles as Potential Antimicrobial and Anticancer Agents
  作者：J. Sravan Kumar、M. A. Alam、Shirisha Gurrapu、Grady Nelson、Michael Williams、Michael A. Corsello、Joseph L. Johnson、Subash C. Jonnalagadda、Venkatram R. Mereddy

  DOI：10.1002/jhet.1777

  日期：2013.7

  Several novel benzoxaborole derivatives were synthesized starting from 2‐formylphenylboronic acid utilizing Baylis–Hillman reaction, Barbier allylation, Passerini reaction, and aldol reaction protocols as the key step. All the synthesized benzoxaboroles have been evaluated for their antibacterial, antifungal, and anticancer activities.

  从2-甲酰基苯基硼酸开始，利用Baylis–Hillman反应，Barbier烯丙基化，Passerini反应和aldol反应方案作为关键步骤，合成了几种新颖的苯并x硼烷衍生物。已经评估了所有合成的苯并恶唑的抗菌，抗真菌和抗癌活性。
• COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Hirata Kenji

  公开号：US20130240784A1

  公开（公告）日：2013-09-19

  To provide a liquid crystal compound having a large negative dielectric anisotropy (Δ∈), and having at least one of characteristics such as a high stability to heat, light and so forth, a high clearing point, a suitable refractive index anisotropy (Δn) and an excellent compatibility with other liquid crystal compounds, and an intermediate thereof. A solution is a compound represented by formula (1): wherein, for example, R 1 and R 2 are alkyl having 1 to 12 carbons, alkoxy having 1 to 12 carbons or alkenyl having 2 to 12 carbons; ring A 1 , ring A 2 and ring A 3 are 1,4-cyclohexylene or 1,4-phenylene; Z 1 , Z 2 and Z 3 are a single bond or —(CH 2 ) 2 —; X is —CF 2 — or —CHF—; and l, m and n are 0 or 1.

  提供一种具有大的负介电各向异性（Δ∈），并具有高热稳定性、光稳定性等特征之一，高清晰点，适当的折射率各向异性（Δn）以及与其他液晶化合物的良好相容性，或其中间体的液晶化合物。其中一种解决方案是由公式（1）表示的化合物：其中，例如，R1和R2是具有1至12个碳的烷基，1至12个碳的烷氧基或2至12个碳的烯基；环A1、环A2和环A3是1,4-环己基或1,4-苯基；Z1、Z2和Z3是单键或—（CH2）2—；X是—CF2—或—CHF—；l、m和n为0或1。
• Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device
  申请人：Hirata Kenji

  公开号：US09193908B2

  公开（公告）日：2015-11-24

  To provide a liquid crystal compound having a large negative dielectric anisotropy (Δ∈), and having at least one of characteristics such as a high stability to heat, light and so forth, a high clearing point, a suitable refractive index anisotropy (Δn) and an excellent compatibility with other liquid crystal compounds, and an intermediate thereof. A solution is a compound represented by formula (1): wherein, for example, R1 and R2 are alkyl having 1 to 12 carbons, alkoxy having 1 to 12 carbons or alkenyl having 2 to 12 carbons; ring A1, ring A2 and ring A3 are 1,4-cyclohexylene or 1,4-phenylene; Z1, Z2 and Z3 are a single bond or —(CH2)2—; X is —CF2— or —CHF—; and l, m and n are 0 or 1.

  提供一种具有大的负介电各向异性（Δ∈）的液晶化合物，具有高热稳定性、光稳定性等特性之一，高清晰点，适当的折射率各向异性（Δn）和与其他液晶化合物的优异相容性，以及其中间体。其中一种解决方案是由式（1）表示的化合物：例如，其中R1和R2是具有1到12个碳的烷基，具有1到12个碳的烷氧基或具有2到12个碳的烯基；环A1，环A2和环A3是1,4-环己基或1,4-苯基；Z1，Z2和Z3是单键或—（CH2）2—；X是—CF2—或—CHF—；l，m和n为0或1。
• Development of practical methodologies for the synthesis of functionalized benzoboroxoles
  作者：J. Sravan Kumar、Christopher M. Bashian、Michael A. Corsello、Subash C. Jonnalagadda、Venkatram R. Mereddy

  DOI：10.1016/j.tetlet.2010.06.077

  日期：2010.8

  2-Formylphenylboronic acids upon reaction with activated olefins such as acrylates, methyl vinyl ketone, and acrylonitrile provide functionalized benzoboroxoles. The corresponding homologated benzoboroxoles were synthesized via the reaction of 2-formylphenylboronic acids with alpha-bromomethylacrylates. (C) 2010 Elsevier Ltd. All rights reserved.
• COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC Corporation

  公开号：EP2669263B1

  公开（公告）日：2017-11-22