5-氯吡啶-2-硼酸 | 652148-91-9

• 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: 5-氯吡啶-2-硼酸
• 中文别名: 5-氯-2-吡啶硼酸；3-氯吡啶-6-硼酸
• 英文名称: (5-chloropyridin-2-yl)boronic acid
• 英文别名: 5-chloropyridine-2-boronic acid；(5-chloro-2-pyridyl)boronic acid
• CAS: 652148-91-9
• 化学式: C₅H₅BClNO₂
• mdl: MFCD07368862
• 分子量: 157.364
• InChiKey: JEGHCYRKSUGHJH-UHFFFAOYSA-N

物化性质

• 沸点：
  317.7±52.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.54
• 重原子数：
  10
• 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：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R37/38,R41
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Chloropyridine-2-boronic acid
CAS number: 652148-91-9

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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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H5BClNO2
Molecular weight: 157.4

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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.

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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：

  5-氯吡啶-2-硼酸 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium carbonate 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 2.5h， 生成 3-(5-Chloropyridin-2-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
  参考文献：
  名称：

  [EN] TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS
  [FR] DÉRIVÉS DE TROPOLONE ET LEURS TAUTOMÈRES POUR LA RÉGULATION DU FER CHEZ LES ANIMAUX

  摘要：

  本文披露了一系列化合物或其互变异构体，其具有由化学式Ia或Ib表示的一般结构以及其药学上可接受的盐。还披露了包括所述化合物或互变异构体或其药学上可接受的盐的药物组合物。进一步的披露涉及一种治疗与铁调节失调或铁稳态功能异常相关的疾病或症状的方法，包括向需要的受试者施用化学式Ia或Ib化合物或互变异构体或其药学上可接受的盐的治疗有效量。

  公开号：

  WO2021076945A1
• 作为产物：
  描述：

  2-溴-5-氯吡啶 在 正丁基锂 、 硼酸三异丙酯 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以36%的产率得到5-氯吡啶-2-硼酸
  参考文献：
  名称：

  新型卤代吡啶基硼酸和酯的合成。第4部分：卤代吡啶-2-基硼酸和酯是稳定的晶体伴侣，可用于经典的铃木交叉偶联

  摘要：

  本文描述了用于合成一些方法和新颖的5或6-卤代吡啶-2-基-硼酸和酯隔离3，4，7。这些化合物是通过使用正丁基锂进行区域选择性的卤素-金属交换并随后从适当的二卤代吡啶开始用三异丙基硼酸酯淬灭来制备的。迄今为止研究的所有底物均提供单一的区域异构硼酸或酯产物。另外，已经发现这些化合物与芳基卤化物经历了Pd催化的偶联，并授权了一种制备新吡啶库的策略。

  DOI：

  10.1016/j.tet.2003.10.020

文献信息

• PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160089364A1

  公开（公告）日：2016-03-31

  The invention relates to a pharmaceutical composition for non-hormonal, on-demand contraception and to processes for preparing this pharmaceutical composition. The latter comprises 2H-indazole as novel EP2 receptor antagonists in combination with COX inhibitors. The invention furthermore provides a method for non-hormonal female-controlled on-demand contraception where a pharmaceutical composition comprising EP2 receptor antagonists in combination with COX inhibitors is taken on demand prior to expected sexual intercourse.

  这项发明涉及一种用于非激素、按需避孕的药物组合物，以及制备该药物组合物的方法。后者包括2H-吲哚唑作为新型EP2受体拮抗剂，与COX抑制剂结合使用。该发明还提供了一种非激素女性控制的按需避孕方法，其中在预期性交前按需服用含有EP2受体拮抗剂与COX抑制剂的药物组合物。
• 유기발광 화합물 및 이를 포함하는 유기전계발광소자
  申请人：SFC CO., LTD. 에스에프씨 주식회사(120060087061) Corp. No ▼ 135511-0105889BRN ▼134-81-54429

  公开号：KR102139781B1

  公开（公告）日：2020-07-30

  본 발명은 하기 [화학식 Ⅰ] 내지 [화학식 Ⅲ]으로 표시되는 유기발광 화합물 및 이를 포함하는 유기전계발광소자에 관한 것으로서, 본 발명에 따른 유기발광 화합물을 포함하는 유기전계발광소자는 휘도 및 발광 효율이 우수하면서도 동시에 저전압 구동이 가능하여 향상된 전력 효율을 갖는다. [화학식 Ⅰ] [화학식 Ⅱ] [화학식 Ⅲ]

  This is the Chinese translation of the text you provided: 本发明涉及一种有机发光化合物及包含该有机发光化合物的有机电致发光器件，所述有机电致发光器件根据本发明包含的有机发光化合物具有优异的亮度和发光效率，并且能够在低电压下工作，具有提高的功率效率。【化学式Ⅰ】【化学式Ⅱ】【化学式Ⅲ】
• [EN] NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS<br/>[FR] NOUVEAUX 2H-INDAZOLES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR EP2
  申请人：BAYER IP GMBH

  公开号：WO2013079425A1

  公开（公告）日：2013-06-06

  The present invention relates to novel 2H-indazoles of the general formula (I), methods for the preparation thereof and the use thereof for the production of pharmaceutical agents for the treatment of diseases and indications which are linked with the EP2- receptor.

  本发明涉及一种新颖的2H-吲唑的一般化学式(I)，其制备方法以及用于制备与EP2受体相关的疾病和指示的药物的用途。
• [EN] 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE<br/>[FR] AGONISTES DES RÉCEPTEURS 5-HT2C, COMPOSITIONS ET MÉTHODES D'UTILISATION
  申请人：ARENA PHARM INC

  公开号：WO2018035477A1

  公开（公告）日：2018-02-22

  The present invention relates to compounds of Formula A and pharmaceutical compositions thereof that modulate the activity of the 5-HT2C receptor. Compounds of the present invention and pharmaceutical compositions thereof are directed to methods useful in the treatment of a 5-HT2C receptor-mediated disorder, such as, weight management, inducing satiety, and decreasing food intake, and for preventing and treating obesity, antipsychotic-induced weight gain, type 2 diabetes, Prader-Willi syndrome, tobacco/nicotine dependence, drug addiction, alcohol addiction and the like, obsessive-compulsive spectrum disorders and impulse control disorders (including nail-biting and onychophagia), sleep disorders, urinary incontinence, psychiatric disorders (including schizophrenia, anorexia nervosa, and bulimia nervosa), Alzheimer disease, sexual dysfunction, erectile dysfunction, epilepsy, movement disorders (including parkinsonism and antipsychotic-induced movement disorder), hypertension, dyslipidemia, nonalcoholic fatty liver disease, obesity-related renal disease, and sleep apnea. Also provided are compositions comprising a compound herein, optionally in combination with a supplemental agent.

  本发明涉及式A的化合物及其药物组合物，可调节5-HT2C受体的活性。本发明的化合物及其药物组合物用于治疗5-HT2C受体介导的疾病，如体重管理、诱发饱腹感、减少食物摄入，以及预防和治疗肥胖、抗精神病药物引起的体重增加、2型糖尿病、普拉德-威利综合征、烟草/尼古丁依赖、药物成瘾、酒精成瘾等，强迫症谱系障碍和冲动控制障碍（包括咬指甲和咬甲症），睡眠障碍、尿失禁、精神障碍（包括精神分裂症、厌食症和暴食症）、阿尔茨海默病、性功能障碍、勃起功能障碍、癫痫、运动障碍（包括帕金森病和抗精神病药物引起的运动障碍）、高血压、血脂异常、非酒精性脂肪肝病、肥胖相关肾脏疾病和睡眠呼吸暂停症。还提供含有本文中化合物的组合物，可选择性地与辅助剂组合使用。
• 硼烷衍生物及其制备方法、电致发光器件
  申请人：广东聚华印刷显示技术有限公司

  公开号：CN111484513B

  公开（公告）日：2022-09-09

  本发明涉及一种硼烷衍生物及其制备方法、电致发光器件，其中，所述硼烷衍生物具有如下通式(I)的结构：式(I)中，R的结构为Ar1—Ar2；其中，Ar1为取代或未取代的缺电子芳香杂环基团，Ar2为取代或未取代的富电子芳香环基团，且Ar2与通式(I)中的乙烯基相连。该硼烷衍生物具有良好的溶解性和成膜性，通过热交联的方式形成于不溶于常规溶剂的交联型聚合物薄膜，且成膜后不易被下一层功能层的溶剂溶解，从而可以避免界面混溶和界面侵蚀的问题。因此，该硼烷衍生物特别适合使用溶液法加工制作大面积、低成本电致发光器件。