6-(4-氟苯基)吡啶-3-硼酸频哪醇酯 | 1073354-81-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 6-(4-氟苯基)吡啶-3-硼酸频哪醇酯
• 中文别名: 2-(4-氟苯基)-5-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-吡啶
• 英文名称: 2‐(4‐fluorophenyl)‐5‐(4,4,5,5‐tetramethyl‐1,3,2‐dioxaborolan‐2‐yl)pyridine
• 英文别名: 2-(4-Fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• CAS: 1073354-81-0
• 化学式: C₁₇H₁₉BFNO₂
• mdl: MFCD09037494
• 分子量: 299.153
• InChiKey: CTCLIEHCPOJNSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.352
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险标志：
  GHS07
• 危险性描述：
  H319,H413
• 危险性防范说明：
  P305 + P351 + P338

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
6-(4-Fluorophenyl)pyridine-3-boronic acid pinacol ester
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

---

Section 3. Composition/information on ingredients.
6-(4-Fluorophenyl)pyridine-3-boronic acid pinacol ester
Ingredient name:
CAS number: 1073354-81-0

---

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.

---

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.

---

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.

---

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.

---

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: C17H19BFNO2
Molecular weight: 299.1

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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, nitrogen oxides, 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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-(4-氟苯基)吡啶-3-硼酸频哪醇酯 、 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 以60.7%的产率得到
  参考文献：
  名称：

  안트라센 또는 트라이페닐렌 유도체 및 이를 포함한 유기전계발광소자

  摘要：

  本发明提供了对有机电致发光器件的实际光效率和视角改进有贡献的蒽或三苯基乙烯衍生物。根据本发明的有机电致发光器件包括第一电极；第二电极；位于所述第一电极和第二电极之间的一层或多层有机物层；和封装层，其中所述有机物层或封装层包含由化学式1表示的蒽或三苯基乙烯衍生物。[化学式1]（在上述化学式1中，每个取代基在本发明的详细说明中定义）。

  公开号：

  KR20220030385A
• 作为产物：
  描述：

  2,5-二氯吡啶 在 四(三苯基膦)钯 、 potassium acetate 、 sodium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 甲苯 为溶剂， 反应 48.0h， 生成 6-(4-氟苯基)吡啶-3-硼酸频哪醇酯
  参考文献：
  名称：

  Synthesis and SAR development of novel P2X7 receptor antagonists for the treatment of pain: Part 2

  摘要：

  Novel P2X(7) antagonists were developed using a purine scaffold. These compounds were potent and selective at the P2X(7) receptor in human and rodent as well as efficacious in rodent pain models. Compound 15a was identified to have oral potency in several pain models in rodent similar to naproxen, gabapentin and pregabalin. Structure-activity relationship (SAR) development and results of pain models are presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.037

文献信息

• WO2024054469A1
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and SAR development of novel P2X7 receptor antagonists for the treatment of pain: Part 2
  作者：Stephanie Brumfield、Julius J. Matasi、Deen Tulshian、Michael Czarniecki、William Greenlee、Charles Garlisi、Hongchen Qiu、Kristine Devito、Shu-Cheng Chen、Yongliang Sun、Rosalia Bertorelli、Justin Ansell、William Geiss、Van-Duc Le、Gregory S. Martin、Samuel A. Vellekoop、James Haber、Melissa L. Allard

  DOI：10.1016/j.bmcl.2011.10.037

  日期：2011.12

  Novel P2X(7) antagonists were developed using a purine scaffold. These compounds were potent and selective at the P2X(7) receptor in human and rodent as well as efficacious in rodent pain models. Compound 15a was identified to have oral potency in several pain models in rodent similar to naproxen, gabapentin and pregabalin. Structure-activity relationship (SAR) development and results of pain models are presented. (C) 2011 Elsevier Ltd. All rights reserved.
• 안트라센 또는 트라이페닐렌 유도체 및 이를 포함한 유기전계발광소자
  申请人：주식회사 랩토

  公开号：KR20220030385A

  公开（公告）日：2022-03-11

  유기 전계 발광 소자의 실질적인 광 효율과 시야각 향상에 기여하는 안트라센 또는 트라이페닐렌 유도체를 제공한다. 본 발명에 따른 유기 전계 발광 소자는, 제1 전극; 제2 전극; 상기 제1 전극과 제2 전극 사이에 배치된 1층 이상의 유기물층; 및 캡핑층을 포함하고, 상기 유기물층 또는 캡핑층은 하기 화학식 1로 표시되는 안트라센 또는 트라이페닐렌 유도체를 포함한다. [화학식 1] (상기 화학식 1에서 각 치환기들은 발명의 상세한 설명에서 정의한 바와 같다.)

  本发明提供了对有机电致发光器件的实际光效率和视角改进有贡献的蒽或三苯基乙烯衍生物。根据本发明的有机电致发光器件包括第一电极；第二电极；位于所述第一电极和第二电极之间的一层或多层有机物层；和封装层，其中所述有机物层或封装层包含由化学式1表示的蒽或三苯基乙烯衍生物。[化学式1]（在上述化学式1中，每个取代基在本发明的详细说明中定义）。