3-氨基-2-羟基-5-溴吡啶 | 98786-86-8

• 物质功能分类: 医药中间体 - 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: 3-氨基-2-羟基-5-溴吡啶
• 中文别名: 2-羟基-3-氨基-5-溴吡啶
• 英文名称: 3-amino-5-bromopyridin-2-ol
• 英文别名: 2-hydroxy-3-amino-5-bromopyridine；3-Amino-5-bromo-2-hydroxypyridine；3-amino-5-bromo-1H-pyridin-2-one
• CAS: 98786-86-8
• 化学式: C₅H₅BrN₂O
• mdl: MFCD00275440
• 分子量: 189.011
• InChiKey: ULOVLVWNSQNABA-UHFFFAOYSA-N

物化性质

• 熔点：
  182-184 °C
• 沸点：
  295.1±40.0 °C(Predicted)
• 密度：
  1.826±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 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：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  | 室温 |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-5-bromo-2-hydroxypyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H318: Causes serious eye damage
H315: Causes skin irritation
H302: Harmful if swallowed
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
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
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-Amino-5-bromo-2-hydroxypyridine
CAS number: 98786-86-8

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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.

---

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.

---

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.
Storage: Store in closed vessels.

---

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.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H5BrN2O
Molecular weight: 189

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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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-氨基-2-羟基-5-溴吡啶 在 potassium carbonate 作用下， 生成 4-(6-Bromo-oxazolo[5,4-b]pyridin-2-yl)-1,4-diaza-bicyclo[3.2.2]-nonane
  参考文献：
  名称：

  Pharmaceutical compositions for CNS and other disorders

  摘要：

  公开号：

  EP1219622B1
• 作为产物：
  描述：

  5-溴-2-羟基-3-硝基吡啶 在 盐酸 、 铁粉 作用下， 以 水 为溶剂， 反应 0.83h， 生成 3-氨基-2-羟基-5-溴吡啶
  参考文献：
  名称：

  一种3-氨基-2-羟基吡啶的合成及其应用

  摘要：

  本发明公开了一种3‑氨基‑2‑羟基吡啶的合成及其应用，其特征在于，包括步骤为：(1)将2‑羟基‑3‑硝基‑5‑溴吡啶溶于溶剂中并搅拌，往里加入铁粉和盐酸的混合物，反应0.5‑1小时，后处理得到2‑羟基‑3‑氨基‑5‑溴吡啶；(2)将步骤(1)得到的2‑羟基‑3‑氨基‑5‑溴吡啶溶于碱性溶液中并加入碳酸锶，往反应瓶中通入氢气，反应一段时间后进行常规处理得到3‑氨基‑2‑羟基吡啶。本发明极大的减少了生产成本，得到的3‑氨基‑2‑羟基吡啶纯度高，可以直接进行下一步应用。

  公开号：

  CN108570001A

文献信息

• [EN] ACLY INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'ACLY ET LEURS UTILISATIONS
  申请人：NIMBUS ARTEMIS INC

  公开号：WO2020097408A1

  公开（公告）日：2020-05-14

  The present invention provides compounds useful as inhibitors of ATP citrate lyase (ACLY), compositions thereof, and methods of using the same.

  本发明提供了作为ATP柠檬酸裂合酶（ACLY）抑制剂的化合物、其组合物以及使用方法。
• [EN] HETEROCYCLIC COMPOUNDS AS BET INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS COMME INHIBITEURS DE BET
  申请人：NUVATION BIO INC

  公开号：WO2020092638A1

  公开（公告）日：2020-05-07

  Novel bromodomain and extraterminal domain (BET) inhibitors and to therapeutic methods of treating conditions and diseases using these novel BET inhibitors are provided.

  提供新颖的溴结构域和超末端域（BET）抑制剂，以及使用这些新颖BET抑制剂治疗疾病和状况的治疗方法。
• [EN] 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS<br/>[FR] 6-HÉTÉROARYLOXY BENZIMIDAZOLES ET AZABENZIMIDAZOLES EN TANT QU'INHIBITEURS DE JAK2
  申请人：AJAX THERAPEUTICS INC

  公开号：WO2021226261A1

  公开（公告）日：2021-11-11

  The present disclosure provides 6-heteroaryloxy benzimidazole and azabenzimidazole compounds and compositions thereof useful for inhibiting JAK2.

  本公开提供了6-杂芳氧基苯并咪唑和氮杂苯并咪唑化合物及其组合物，用于抑制JAK2。
• Elemental sulfur-promoted one-pot synthesis of 2-(2,2,2-trifluoroethyl)benzoxazoles and their derivatives
  作者：Zhengyu Li、Jingnan Dong、Junwen Wang、Ding-Yah Yang、Zhiqiang Weng

  DOI：10.1039/c9cc06822h

  日期：——

  A novel and direct strategy has been developed for the synthesis of 2-(2,2,2-trifluoroethyl)benzoxazoles by reaction of o-aminophenols and 2-bromo-3,3,3-trifluoropropene in the presence of elemental sulfur under metal-free conditions. The scope of this methodology was further extended to the synthesis of the trifluoroethylated benzothiazole and benzoimidazole derivatives. A plausible mechanism was

  已经开发了一种新颖的直接策略，用于在金属下在元素硫存在下通过邻氨基酚与2-溴-3,3,3-三氟丙烯反应生成2-（2,2,2-三氟乙基）苯并恶唑。无条件。该方法的范围进一步扩展到三氟乙基化苯并噻唑和苯并咪唑衍生物的合成。在硫代酰胺中间体的分离和表征的基础上，提出了一种合理的机理。
• [EN] COMPOUNDS AND THEIR METHODS OF USE<br/>[FR] COMPOSÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：PRAXIS PREC MEDICINES INC

  公开号：WO2018148745A1

  公开（公告）日：2018-08-16

  The present invention is directed to, in part, fused heteroaryl compounds and compositions useful for preventing and/or treating a disease or condition relating to aberrant function of a voltage-gated, sodium ion channel, for example, abnormal late/persistent sodium current. Methods of treating a disease or condition relating to aberrant function of a sodium ion channel including Dravet syndrome or epilepsy are also provided herein.

  本发明部分涉及融合的杂环基化合物和组合物，用于预防和/或治疗与电压门控钠离子通道异常功能相关的疾病或症状，例如异常的晚期/持续性钠电流。本文还提供了治疗与钠离子通道异常功能相关的疾病或症状的方法，包括德拉维特综合征或癫痫。