3-氟-4-硝基苯硼酸频那醇酯 | 939968-60-2

• 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: 3-氟-4-硝基苯硼酸频那醇酯
• 中文别名: 3-氟-4-硝基苯基硼酸,频哪醇酯
• 英文名称: 2-(3-fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS: 939968-60-2
• 化学式: C₁₂H₁₅BFNO₄
• 分子量: 267.065
• InChiKey: MOKWUYKZXFBLKR-UHFFFAOYSA-N

物化性质

• 沸点：
  368.9±32.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Fluoro-4-nitrophenylboronic acid, pinacol ester
Synonyms: 2-(3-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Fluoro-4-nitrophenylboronic acid, pinacol ester
CAS number: 939968-60-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
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.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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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.
Store in closed vessels.
Storage:

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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
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C12H15BFNO4
Molecular weight: 267.1

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-氟-4-硝基苯硼酸频那醇酯 在 四(三苯基膦)钯 、 2-羟乙基甲砜 、 偶氮二甲酸二异丙酯 、 palladium 10% on activated carbon 、 甲酸铵 、 sodium hydride 、 sodium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 水 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 35.0h， 生成 2-[2-[Tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-4-quinolin-2-ylaniline
  参考文献：
  名称：

  TAU IMAGING PROBE

  摘要：

  公开号：

  EP2634177B8
• 作为产物：
  描述：

  2-氟-4-溴硝基苯 、 联硼酸频那醇酯 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 生成 3-氟-4-硝基苯硼酸频那醇酯
  参考文献：
  名称：

  [EN] FGFR2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF
  [FR] INHIBITEUR DU FGFR2, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION PHARMACEUTIQUE
  [ZH] FGFR2抑制剂、及其制备方法和医药用途

  摘要：

  一种通式(1)所示的化合物或其药学上可接受的盐，以及含有如通式(1)所示化合物的组合物，制备方法和其作为成纤维细胞生长因子受体2(FGFR2)抑制剂在抗肿瘤药物制备中的用途。

  公开号：

  WO2023078413A1

文献信息

• Synthesis of Trimethylstannyl Arylboronate Compounds by Sandmeyer-Type Transformations and Their Applications in Chemoselective Cross-Coupling Reactions
  作者：Di Qiu、Shuai Wang、Shengbo Tang、He Meng、Liang Jin、Fanyang Mo、Yan Zhang、Jianbo Wang

  DOI：10.1021/jo402618r

  日期：2014.3.7

  A synthetic method based on Sandmeyer-type reactions to access both tin- and boron-substituted arenes from nitroaniline derivatives is described. This transformation can be applied to the synthesis of a series of functionalized trimethylstannyl arylboronates. In addition, the chemoselective reaction of the Stille and Suzuki–Miyaura cross-coupling reactions is explored, and a series of m- and p-terphenyl

  描述了一种基于Sandmeyer型反应的合成方法，可从硝基苯胺衍生物中获得锡和硼取代的芳烃。该转化可用于合成一系列官能化的三甲基锡烷基芳基硼酸酯。此外，还探索了Stille和Suzuki-Miyaura交叉偶联反应的化学选择性反应，并通过进行连续的一锅法式Stille和Suzuki-Miyaura交叉偶联反应合成了一系列m-和对-三苯基衍生物。
• 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체 및 이의 용도
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

  公开号：KR20200076655A

  公开（公告）日：2020-06-29

  본 발명은 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체(hydrazone derivatives) 및 이의 용도에 관한 것이다.

  这项发明涉及末端氨基被芳基或杂芳基取代的新的腙衍生物(hydrazone derivatives)及其用途。
• [EN] PYRAZOLOPYRIDINE COMPOUNDS FOR IRE1 INHIBITION<br/>[FR] COMPOSÉS DE PYRAZOLOPYRIDINE POUR L'INHIBITION D'IRE1
  申请人：OPTIKIRA LLC

  公开号：WO2020176765A1

  公开（公告）日：2020-09-03

  The present invention provides novel pyrazolopyridine compounds compounds, compositions and methods for treating or preventing an IRE1α-related disease or disorder. In certain embodiments, the disease or disorder is selected from the group consisting of a neurodegenerative disease, a demyelinating disease, cancer, an eye disease, a fibrotic disease, and diabetes.

  本发明提供了用于治疗或预防IRE1α相关疾病或紊乱的新型吡唑吡啶化合物、组合物和方法。在某些实施例中，所述疾病或紊乱选自神经退行性疾病、脱髓鞘疾病、癌症、眼部疾病、纤维化疾病和糖尿病等组。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20170044132A1

  公开（公告）日：2017-02-16

  The present invention provides a heterocyclic compound having a CDK8 and/or CDK19 inhibitory effect. The present invention provides a compound represented by formula (I) (in the formula, the symbols are as defined in the description) or a salt thereof.

  本发明提供一种具有CDK8和/或CDK19抑制作用的杂环化合物。本发明提供一种由式(I)表示的化合物 （在式中，符号如描述中定义）或其盐。
• Novel imidazothiazoles and imidazoxazoles
  申请人：Calderwood David J.

  公开号：US20080161341A1

  公开（公告）日：2008-07-03

  The present invention is directed to novel compounds of formula (I) wherein the variables are as defined herein. The compounds of formula (I) are useful as kinase inhibitors and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases and proliferative disorders and conditions, for example, cancers.

  本发明涉及公式（I）的新化合物，其中变量如定义所述。公式（I）的化合物可用作激酶抑制剂，因此可用于治疗某些病症和疾病，特别是炎症性病症和疾病以及增殖性疾病和病症，例如癌症。