4-(4-氟苯基)苯硼酸 | 140369-67-1

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 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-(4-氟苯基)苯硼酸
• 英文名称: (4'-fluoro-[1,1'-biphenyl]-4-yl)boronic acid
• 英文别名: 4-(4-Fluorophenyl)phenylboronic acid；[4-(4-fluorophenyl)phenyl]boronic acid
• CAS: 140369-67-1
• 化学式: C₁₂H₁₀BFO₂
• 分子量: 216.02
• InChiKey: KHMFYFVXTICBEL-UHFFFAOYSA-N

物化性质

• 沸点：
  382.3±44.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
4-(4-Fluorophenyl)phenylboronic acid
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
4-(4-Fluorophenyl)phenylboronic acid
Ingredient name:
CAS number: 140369-67-1

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels, refrigerated.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C12H10BFO2
Molecular weight: 216.0

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(4-氟苯基)苯硼酸 在 magnesium sulfate 、 caesium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 24.0h， 生成 4-氟-4'-(三氟甲基)-1,1'-联苯
  参考文献：
  名称：

  通过 Ag(I)/Ag(III) 氧化还原歧管交叉耦合

  摘要：

  教银做伎俩。通过Ag I / Ag III氧化还原穿梭进行氧化三氟甲基化的最关键步骤在本文中被破译。这种创新的交叉耦合类似于铜普及的 CEL 耦合，包括：i)容易的 Ag I /Ag III 2 e -氧化；ii)苯连接到 Ag III 上；iii)硼到 Ag III芳基转移；和ⅳ）三氟甲苯产量从芳基的Ag III中间体。现在，Ag III CF 3化学是安全的，可以从 AgF、KF、CF 3 TMS 和空气中获得。

  DOI：

  10.1002/chem.202102836
• 作为产物：
  描述：

  硼酸三甲酯 、 4-溴-4′-氟联苯 在 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 以93%的产率得到4-(4-氟苯基)苯硼酸
  参考文献：
  名称：

  [EN] INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS
  [FR] INHIBITEURS DE LA VOIE DE SIGNALISATION NOTCH ET LEUR UTILISATION DANS LE TRAITEMENT DE CANCERS

  摘要：

  本发明涉及新的Notch信号通路抑制剂及其在治疗和/或预防癌症中的应用。

  公开号：

  WO2020208139A1

文献信息

• [EN] COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DU CANCER INDUIT PAR UN ONCOVIRUS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：CELLESTIA BIOTECH AG

  公开号：WO2020208138A1

  公开（公告）日：2020-10-15

  The pesent invention relates to compounds of formula (I) pharmaceutically-acceptable salts, hydrates, solvates, or stereoisomers thereof and their use for the prevention and treatment of oncovirus induced cancer in a subject.

  本发明涉及式(I)化合物的药物可接受的盐、水合物、溶剂化物或立体异构体及其用于预防治疗宿主肿瘤病毒引起的癌症。
• [EN] ANTIMICROBIAL AGENTS<br/>[FR] AGENTS ANTIMICROBIENS
  申请人：UNIV RUTGERS

  公开号：WO2011156626A1

  公开（公告）日：2011-12-15

  The invention provides a compound of formula (I), or a salt or prodrug thereof, wherein R1, R4-R8, R10, R2'-R6', W, and A have any of the values described in the specification, as well as compositions comprising a compound of formula (I). The compounds are useful as antibacterial agents.

  该发明提供了一种化合物，其化学式为(I)，或其盐或前药，其中R1、R4-R8、R10、R2'-R6'、W和A具有规范中描述的任何值，以及包含化合物(I)的组合物。这些化合物可用作抗菌剂。
• Ladder-type oligo(p-phenylene)s with D–π–A architectures: design, synthesis, optical gain properties, and stabilized amplified spontaneous emission
  作者：Mei Fang、Jinjin Huang、Si-Ju Chang、Yi Jiang、Wen-Yong Lai、Wei Huang

  DOI：10.1039/c7tc00185a

  日期：——

  A novel family of rigid ladder-type oligo(p-phenylene)s with donor–π–acceptor (D–π–A) architectures (n)L-F/(n)L-Ph-F (n = 2–4) end-capped with diphenylamino and fluorophenyl/fluorine units have been designed, synthesized and explored as gain media for organic lasers. The resulting materials demonstrated excellent thermal stability with a high degradation temperature (Td) over 400 °C. The extension

  具有供体-π-受体（D-π-A）结构（n）LF /（n）L-Ph-F（n = 2-4）末端的刚性梯型低聚对苯二酚的新家族已经设计，合成并探索了用二苯氨基和氟苯基/氟单元封端的有机激光器作为增益介质。所得材料显示出优异的热稳定性，并在超过400°C的高温下具有较高的降解温度（T d）。供体和受体单元之间π共轭桥长度的延长成功地抑制了低聚对苯撑的结晶趋势，从而导致玻璃化温度升高（T g），并改善了纯净薄膜的形态稳定性。随着寡聚（对亚苯基）s的共轭长度的延长，放大的自发发射（ASE）阈值（E th）降低。特别是，对于具有最长共轭长度的4L-Ph-F，ASE阈值被确定为低至1.97μJcm -2，并且净增益系数大于90 cm -1，而损耗系数相当低，α = 2.0厘米-1。一个维分布反馈（1D DFB）激光器证明激射5.3毫微焦耳脉冲的阈值-1（0.44千瓦厘米-2，2.2μJ厘米-2）和1.3毫微焦耳脉冲-1（0
• CuCl‐Catalyzed Conversion of Aryl Boronic Acids and Carbon Dioxide to Carboxylate Esters
  作者：Mi‐Li Yang、Yu‐Qin Li、He Li、Li Jiang、Zheng Wang、Lu Jin、Huan‐huan Wang、Rong Zhou

  DOI：10.1002/ejoc.202200212

  日期：2022.7.14

  A readily available and mild CuCl catalyst system has been developed for converting CO2 with aryl boronic acids to aryl carboxylate esters. The system has a good functional group tolerance, and substrates containing electron-withdrawing and electron-donating groups could be converted into corresponding products with good yields.

  已经开发了一种易于获得且温和的 CuCl 催化剂体系，用于将 CO 2与芳基硼酸转化为芳基羧酸酯。该体系具有良好的官能团耐受性，含有吸电子基团和给电子基团的底物可以以良好的收率转化为相应的产物。
• COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9)
  申请人：SRX Cardio, LLC

  公开号：US20220193058A1

  公开（公告）日：2022-06-23

  The present disclosure relates to novel compounds capable of binding to PCSK9, thereby modulating PCSK9 biological activity. Also provided are compositions comprising these compounds, methods of preparing the compounds, and methods for use of the compounds in the treatment of PCSK9-related conditions and diseases.

  本公开涉及新型化合物，能够结合到PCSK9，从而调节PCSK9的生物活性。还提供了包含这些化合物的组合物，制备这些化合物的方法，以及使用这些化合物治疗与PCSK9相关的疾病和病症的方法。