2-羟基-3-氯-5-溴吡啶 | 58236-70-7

• 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-羟基-3-氯-5-溴吡啶
• 中文别名: 5-溴-3-氯-2-羟基吡啶；5-溴-2-羟基-3-氯吡啶
• 英文名称: 5-bromo-3-chloropyridin-2-ol
• 英文别名: 5-Bromo-3-chloro-2-hydroxypyridine；5-bromo-3-chloro-1H-pyridin-2-one
• CAS: 58236-70-7
• 化学式: C₅H₃BrClNO
• 分子量: 208.442
• InChiKey: IPWYUROVLMVBGD-UHFFFAOYSA-N

物化性质

• 熔点：
  199-202℃
• 沸点：
  275.4±40.0 °C(Predicted)
• 密度：
  1.91±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 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-Bromo-3-chloropyridin-2-ol
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: 5-Bromo-3-chloropyridin-2-ol
CAS number: 58236-70-7

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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.
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: C5H3BrClNO
Molecular weight: 208.4

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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 bromide.

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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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  3-氯-2-羟基吡啶	3-chloro-2-hydroxypyridine	13466-35-8	C5H4ClNO	129.546
  2-羟基-5-溴吡啶	5-bromopyridin-2-ol	13466-38-1	C5H4BrNO	173.997

反应信息

• 作为反应物：
  描述：

  2-羟基-3-氯-5-溴吡啶 以 phosphorus tribromide 为溶剂， 生成 2,5-二溴-3-氯吡啶
  参考文献：
  名称：

  3-Chloropyridines, and their use in liquid-crystal mixtures

  摘要：

  3-氯吡啶，其制备方法以及它们在液晶混合物中的应用。式（I）的3-氯吡啶：##STR1## 其中符号具有以下含义：R.sup.1和R.sup.2，彼此独立，例如，为H或直链或支链烷基，A.sup.1，A.sup.2，A.sup.3和A.sup.4相同或不同，例如，为1,4-苯撑基，吡嗪-2,5-二基或反-1,4-环己撑基，M.sup.1，M.sup.2，M.sup.3和M.sup.4相同或不同，例如，为--O--或--CO--O--，R.sup.3，R.sup.4，R.sup.6和R.sup.7彼此独立，例如，为H或直链或支链烷基，M.sup.5例如，为--O--CO--或单键，k，l，m，n，o，p，q和r为零或一，但须满足k+m+p+r的总和小于4且大于零，可优选作为铁电液晶混合物中的组分。

  公开号：

  US05629428A1
• 作为产物：
  描述：

  3-氯-2-羟基吡啶 在 溴 、 sodium sulfite 作用下， 以 N-甲基乙酰胺 、 水 为溶剂， 生成 2-羟基-3-氯-5-溴吡啶
  参考文献：
  名称：

  3-Chloropyridines, and their use in liquid-crystal mixtures

  摘要：

  3-氯吡啶，其制备方法以及它们在液晶混合物中的应用。式（I）的3-氯吡啶：##STR1## 其中符号具有以下含义：R.sup.1和R.sup.2，彼此独立，例如，为H或直链或支链烷基，A.sup.1，A.sup.2，A.sup.3和A.sup.4相同或不同，例如，为1,4-苯撑基，吡嗪-2,5-二基或反-1,4-环己撑基，M.sup.1，M.sup.2，M.sup.3和M.sup.4相同或不同，例如，为--O--或--CO--O--，R.sup.3，R.sup.4，R.sup.6和R.sup.7彼此独立，例如，为H或直链或支链烷基，M.sup.5例如，为--O--CO--或单键，k，l，m，n，o，p，q和r为零或一，但须满足k+m+p+r的总和小于4且大于零，可优选作为铁电液晶混合物中的组分。

  公开号：

  US05629428A1

文献信息

• [EN] NOVEL PHENYL PROPIONIC ACID DERIVATIVES AND USES THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE L'ACIDE PHÉNYL PROPIONIQUE ET LEURS UTILISATIONS
  申请人：IL DONG PHARMA

  公开号：WO2018111012A1

  公开（公告）日：2018-06-21

  The present invention relates to the compounds according to Formula (I), the racemates, enantiomers, diastereomers thereof or pharmaceutical acceptable salts thereof, or pharmaceutical compositions comprising these, for the treatment or prevention of metabolic disorders. The compounds according to Formula (I) are, as GPR40 agonists, available for oral administration with glucose-dependent insulin secretion mechanism, which exhibit excellent glucose lowering efficacy without the risk of hypoglycemia. Thus, the compounds and/or pharmaceutical compositions comprising the compounds as effective components are useful in treating and/or preventing symptoms of type 2 diabetes through adequate control of blood glucose.

  本发明涉及按照式(I)的化合物，其外消旋体、对映体、非对映异构体或其药用可接受盐，或包括这些的药用组合物，用于治疗或预防代谢紊乱。按照式(I)的化合物作为GPR40激动剂，可供口服，具有葡萄糖依赖性胰岛素分泌机制，表现出出色的降糖效果而无低血糖风险。因此，包含这些化合物和/或药用组合物作为有效成分的药物在通过充分控制血糖来治疗和/或预防2型糖尿病症状方面是有用的。
• [EN] SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF<br/>[FR] BENZAMIDES SUBSTITUÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2015078374A1

  公开（公告）日：2015-06-04

  The invention provides compounds having the general formula I, and pharmaceutically acceptable salts thereof, wherein the variables RA, RAA, subscript n, ring A, X2, L, subscript m, X1, R1, R2, R3, R4, R5, and RN have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.

  这项发明提供了具有一般式I的化合物及其药用盐，其中变量RA、RAA、下标n、环A、X2、L、下标m、X1、R1、R2、R3、R4、R5和RN的含义如本文所述，并包含这种化合物的组合物和使用这种化合物和组合物的方法。
• [EN] SUBSTITUTED INDOLE COMPOUNDS USEFUL AS INHIBITORS OF TLR7/8/9<br/>[FR] COMPOSÉS INDOLE SUBSTITUÉS UTILES EN TANT QU'INHIBITEURS DE TLR7/8/9
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019028302A1

  公开（公告）日：2019-02-07

  Disclosed are compounds of Formula (I) or a salt thereof, wherein: Y is Formula (II), or Formula (III); R1, R2, R2a, R2b, R2c, R3, R4,R5, m, and n are defined herein. Also disclosed are methods of using such compounds as inhibitors of signaling through Toll-like receptor 7, or 8, or 9, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating inflammatory and autoimmune diseases.

  揭示了Formula (I)或其盐的化合物，其中：Y为Formula (II)或Formula (III)；R1、R2、R2a、R2b、R2c、R3、R4、R5、m和n在此处有定义。还揭示了使用这些化合物作为信号通过Toll样受体7、8或9的抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗炎症性和自身免疫性疾病方面是有用的。
• [EN] PYRIDINONE AND PYRIDAZINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRIDINONE ET DE PYRIDAZINONE
  申请人：ABBOTT LAB

  公开号：WO2013185284A1

  公开（公告）日：2013-12-19

  Compounds of formula (I) wherein A1, A2, A3, A4, J, L, G, and R1 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions, including inflammatory diseases, diabetes, obesity, cancer, and AIDS are disclosed. Pharmaceutical compositions comprising one or more compounds of formula (I) also are disclosed.

  公式（I）中A1、A2、A3、A4、J、L、G和R1的化合物，其取值符合规范中定义的任何值，以及其药学上可接受的盐，可用作治疗疾病和病况的药物，包括炎症性疾病、糖尿病、肥胖症、癌症和艾滋病。还披露了包含一个或多个公式（I）化合物的药物组合物。
• Novel Heterocyclic Compounds as Bromodomain Inhibitors
  申请人：Liu Shuang

  公开号：US20140179648A1

  公开（公告）日：2014-06-26

  The present disclosure relates to compounds, which are useful for inhibition of BET protein function by binding to bromodomains, and their use in therapy.

  本公开涉及一些化合物，这些化合物通过结合溴结构域对BET蛋白功能进行抑制，并且它们在治疗中的应用。