2-氯-5-氟吡啶-4-硼酸 | 951677-47-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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: 2-氯-5-氟吡啶-4-硼酸
• 中文别名: 2-氯-5-氟吡啶-4-硼
• 英文名称: (2-chloro-5-fluoropyridin-4-yl)boronic acid
• 英文别名: 2-chloro-5-fluoropyridine-4-boronic acid
• CAS: 951677-47-7
• 化学式: C₅H₄BClFNO₂
• mdl: MFCD04972404
• 分子量: 175.355
• InChiKey: JJHRCHRHBBOCGY-UHFFFAOYSA-N

物化性质

• 沸点：
  334.4±52.0 °C(Predicted)
• 密度：
  1.51

计算性质

• 辛醇/水分配系数(LogP)：
  1.36
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-5-fluoropyridine-4-boronic acid
Synonyms:

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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: 2-Chloro-5-fluoropyridine-4-boronic acid
CAS number: 951677-47-7

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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, under −20◦C.
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: C5H4BClFNO2
Molecular weight: 175.4

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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 chloride, 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：

  2-氯-5-氟吡啶-4-硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 sodium carbonate 、 三氟乙酸 、 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 、 二氯甲烷 、 水 、 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 (1S,3R)-3-amino-N-(4-(7-cyano-2,2-dimethyl-2,3-dihydro-1H-pyrrolizin-5-yl)-5-fluoropyridin-2-yl)cyclohexane-1-carboxamide
  参考文献：
  名称：

  一种作为CDK9抑制剂的多环酰胺类衍生物、其制备方法及用途

  摘要：

  本发明属于多环酰胺类衍生物技术领域，具体涉及一种作为CDK9抑制剂的多环酰胺类衍生物、其制备方法及用途。所述多环酰胺类衍生物表现出优异的CDK9酶抑制活性，可用于制备治疗癌症的药物，所述癌症尤其是血液癌，包括急性髓细胞白血病、多发性骨髓瘤、慢性淋巴细胞性白血病、滤泡性淋巴瘤等和实体瘤，包括乳腺癌、前列腺癌、卵巢癌、肝细胞癌、胰腺癌、肾癌、胃癌、结直肠癌和肺癌等。

  公开号：

  CN113149996B

文献信息

• [EN] HETEROARYLS AND USES THEREOF<br/>[FR] HÉTÉROARYLES ET UTILISATIONS DE CEUX-CI
  申请人：MILLENNIUM PHARM INC

  公开号：WO2015108881A1

  公开（公告）日：2015-07-23

  The present invention provides a compound of formula I: wherein R1, X1, X2,R2, R3, R4, R5, n, and m are as described in the specification. Such compounds are inhibitors of VPS34 and thus useful for treating proliferative, inflammatory, or cardiovascular disorders.

  本发明提供了一种化合物，其化学式为I：其中R1、X1、X2、R2、R3、R4、R5、n和m如规范中所述。这些化合物是VPS34的抑制剂，因此对于治疗增殖性、炎症性或心血管疾病有用。
• HETEROARYLS AND USES THEREOF
  申请人：MILLENNIUM PHARMACEUTICALLS, INC.

  公开号：US20160333007A1

  公开（公告）日：2016-11-17

  The present invention provides a compound of formula I: wherein R 1 , X 1 , X 2 , R 2 , R 3 , R 4 , R 5 , n, and m are as described in the specification. Such compounds are inhibitors of VPS34 and thus useful for treating proliferative, inflammatory, or cardiovascular disorders.

  本发明提供了一种具有如下式I的化合物：其中R1、X1、X2、R2、R3、R4、R5、n和m如规范中所描述。这些化合物是VPS34的抑制剂，因此可用于治疗增殖性、炎症性或心血管疾病。
• 一类芳香杂环并内酰胺类化合物、制备方法和用途
  申请人：上海凌达生物医药有限公司

  公开号：CN112457326B

  公开（公告）日：2022-02-15

  本发明公开了一类芳香杂环并内酰胺类化合物、制备方法和用途。本发明具体公开了一类如式(I)所示芳香杂环并内酰胺类化合物、或其药学上可接受的盐、或其对映异构体、非对映异构体、互变异构体、溶剂化物、多晶型物或前药、其制备方法及其在药学上的应用。
• スルホニルピリドン化合物および有害生物防除剤
  申请人：日本曹達株式会社

  公开号：JP2019064999A

  公开（公告）日：2019-04-25

  【課題】殺虫／殺ダニ活性、安全性に優れた易合成性スルホニルピリドン化合物の提供。【解決手段】式（Ｉ）で表される化合物またはその塩。Ｒ１、Ｒ２：Ｃ１〜６アルキル基等；Ｚ：Ｏ原子等；ｎ：０〜２；Ｑ：式（Ｑ−１）。＊：結合位置；Ｒ３；Ｃ１〜６アルキル基；Ａ1〜Ａ３：Ｎ原子等。【選択図】なし

  【问题】提供一种易于合成的对杀虫/杀螨活性和安全性优良的硫酰基吡啶化合物。 【解决方案】化合物或其盐由式（I）表示。其中，R1，R2：C1〜6烷基等；Z：O原子等；n：0〜2；Q：式（Q-1）。*：连接位置；R3；C1〜6烷基；A1〜A3：N原子等。 【选择图】无
• Heteroaryl compounds and their uses
  申请人：Novartis AG

  公开号：US08778951B2

  公开（公告）日：2014-07-15

  The present invention provides a compound of formula (I): and pharmaceutically acceptable salts, enantiomers, stereoisomers, rotamers, tautomers, diastereomers, or racemates thereof. Also provided is a method of treating a disease or condition mediated by CDK9.

  本发明提供一个化合物的公式(I)和其药学上可接受的盐、对映体、立体异构体、旋转异构体、互变异构体、非对映异构体或混合物。同时，本发明还提供了一种治疗由CDK9介导的疾病或病状的方法。