2-溴-4-羟基吡啶 | 36953-40-9

• 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: 2-溴-4-羟基吡啶
• 英文名称: 2-bromopyridin-4-ol
• 英文别名: 2-bromo-4-hydroxypyridine；2-bromopyridine-4-ol；2-bromo-1H-pyridin-4-one
• CAS: 36953-40-9
• 化学式: C₅H₄BrNO
• 分子量: 173.997
• InChiKey: GGXSDQDNOMWAFV-UHFFFAOYSA-N

物化性质

• 熔点：
  173 °C(Solv: water (7732-18-5))
• 沸点：
  425.0±25.0 °C(Predicted)
• 密度：
  1.788±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 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：
  2

安全信息

• 海关编码：
  2933399090
• 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-Bromopyridin-4-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: 2-Bromopyridin-4-ol
CAS number: 36953-40-9

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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, refrigerated.
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: C5H4BrNO
Molecular weight: 174.0

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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 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

反应信息

• 作为反应物：
  描述：

  2-溴-4-羟基吡啶 生成 2-溴-3-甲氧基吡啶
  参考文献：
  名称：

  LOMBARDINO J. G., J. MED. CHEM., 1981, 24, NO 1, 39-42

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴-4-氟吡啶 在 18-冠醚-6 、 potassium hydroxide 作用下， 以 neat (no solvent) 为溶剂， 反应 1.0h， 以65%的产率得到2-溴-4-羟基吡啶
  参考文献：
  名称：

  使用机械化学对芳基和杂芳基氟化物进行一步羟基化

  摘要：

  简单地使用 KOH 可以在机械化学条件下实现芳族和杂芳族底物的直接 F 到 OH 交换。该反应在没有溶剂的情况下以氢氧化钾作为OH源进行。因此，这种方法比之前描述的这种转化方法更原子经济和环境友好。

  DOI：

  10.1039/d1gc04361g

文献信息

• [EN] Amide compounds and uses thereof<br/>[FR] COMPOSÉS AMIDES ET LEURS UTILISATIONS
  申请人：HUTCHISON MEDIPHARMA LTD

  公开号：WO2021197276A1

  公开（公告）日：2021-10-07

  Provided herein are novel amide compounds of formula (I), pharmaceutical compositions comprising same, methods for preparing same, and uses thereof, wherein the definition of each symbol is as described in the description.

  本文提供了化合物的新型酰胺化合物的公式(I)，包括相同的药物组合物，制备相同的方法以及它们的用途，其中每个符号的定义如描述中所述。
• [EN] ANTIBACTERIAL BIAROMATIC DERIVATIVES WITH OXETANE-3-YLOXY SUBSTITUTION<br/>[FR] DÉRIVÉS BIAROMATIQUES ANTIBACTÉRIENS AVEC SUBSTITUTION PAR OXÉTANE-3-YLOXY
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2017179002A1

  公开（公告）日：2017-10-19

  The invention relates to antibacterial compounds of formula (I), wherein U1 represents N or CH, U2 represents N or CH, U3 represents N or CH, it being understood that at most two of U1, U2, U3 can represent N at the same time; V1 represents N or CH, V2 represents N, CH or C(OH) and V3 represents N, CH or C(OH), it being understood that at most two of V1, V2 and V3 can represent N at the same time; the dotted line "----- " represents a bond or is absent; X represents CH or N; and Q represents O or S. It further relates pharmaceutical compositions containing these compounds and the uses of these compounds in the manufacture of medicaments for the treatment of bacterial infections. These compounds are useful antimicrobial agents effective against a variety of human and veterinary pathogens including among others Gram-positive and Gram-negative aerobic and anaerobic bacteria.

  本发明涉及具有公式(I)的抗菌化合物，其中U1代表N或CH，U2代表N或CH，U3代表N或CH，理解为一共最多有两个U1、U2、U3可以同时代表N；V1代表N或CH，V2代表N、CH或C(OH)，V3代表N、CH或C(OH)，理解为一共最多有两个V1、V2和V3可以同时代表N；虚线“-----”代表一个键或不存在；X代表CH或N；Q代表O或S。它还涉及包含这些化合物的药物组合物，以及这些化合物在制造用于治疗细菌感染的药物中的应用。这些化合物是有用的抗菌剂，对包括革兰氏阳性菌和革兰氏阴性菌在内的多种人类和兽医病原体有效。
• METALLOENZYME INHIBITOR COMPOUNDS
  申请人：Hoekstra William J.

  公开号：US20120329788A1

  公开（公告）日：2012-12-27

  The instant invention describes compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes.

  这项即时发明描述了具有金属酶调节活性的化合物，以及治疗由这些金属酶介导的疾病、疾病或症状的方法。
• [EN] RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] INHIBITEURS DE RET, COMPOSITIONS PHARMACEUTIQUES ET UTILISATIONS ASSOCIÉES
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2020114494A1

  公开（公告）日：2020-06-11

  Provided herein are a RET inhibitor, a pharmaceutical composition thereof and uses thereof. In particular, provided is a compound having Formula (I) or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof. Provided is a pharmaceutical composition comprising the compound, and uses of the compound and pharmaceutical composition thereof for the preparation of a medicament, in particular for treatment and prevention of RET-related diseases and conditions, including cancer, irritable bowel syndrome, and/or pain associated with irritable bowel syndrome.

  本文提供了一种RET抑制剂，其药物组合物及用途。具体而言，提供了具有化学式（I）或其立体异构体、几何异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药用可接受的盐或其前药的化合物。提供了包含该化合物的药物组合物，并提供了该化合物及其药物组合物的用途，用于制备药物，特别是用于治疗和预防与RET相关的疾病和症状，包括癌症、肠易激综合征以及与肠易激综合征相关的疼痛。
• [EN] SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY<br/>[FR] ISOSTÈRES DU SCRIPTAID ET LEUR UTILISATION EN THÉRAPIE
  申请人：KARUS THERAPEUTICS LTD

  公开号：WO2010086646A1

  公开（公告）日：2010-08-05

  Compounds of the invention are of the formula (I); wherein: … is a double bond and X is C; or … is a single bond and X is N, CH or CQR1; and wherein: n is 1 to 10; R is H or QR1; each R' is independently selected from H and QR1; each Q is independently selected from a bond, CO, NH, S, SO, SO2 or O; each R1 is independently selected from C1-C10 alkyl, C2-C10 alkenyl, C2-C10 alkynyl, substituted or unsubstituted aryl or heteroaryl, acyl, C1-C10 cycloalkyl, halogen, C1-C10 alkylaryl or C1-C10 heterocycloalkyl; L is a nitrogen-containing heteroaryl; and W is a zinc-chelating residue; or a pharmaceutically acceptable salt thereof. The compounds are useful in therapy.

  本发明的化合物具有公式(I)：其中：…表示双键，X为C；或…表示单键，X为N、CH或CQR1；并且：n为1至10；R为H或QR1；每个R'独立地选自H和QR1；每个Q独立地选自键、CO、NH、S、SO、SO2或O；每个R1独立地选自C1-C10烷基、C2-C10烯基、C2-C10炔基、取代或不取代的芳基或杂芳基、酰基、C1-C10环烷基、卤素、C1-C10烷基芳基或C1-C10杂环烷基；L是含有氮的杂芳基；W是锌螯合残基；或其药用可接受盐。这些化合物在治疗中有用。