5-溴-4-氯-2-甲基吡啶 | 1003711-85-0

• 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-溴-4-氯-2-甲基吡啶
• 中文别名: 2-甲基-4-氯-5-溴吡啶
• 英文名称: 5-bromo-4-chloro-2-methylpyridine
• CAS: 1003711-85-0
• 化学式: C₆H₅BrClN
• 分子量: 206.469
• InChiKey: HQIJNBFVJKFOAS-UHFFFAOYSA-N

物化性质

• 沸点：
  223.0±35.0 °C(Predicted)
• 密度：
  1.624±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-4-chloro-2-methylpyridine
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-4-chloro-2-methylpyridine
CAS number: 1003711-85-0

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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: C6H5BrClN
Molecular weight: 206.5

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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
  ——	5-bromo-4-chloro-2-methylpyridine 1-oxide	103971-43-3	C6H5BrClNO	222.469
  5-溴-2-甲基吡啶	5-bromo-2-methylpyridine	3430-13-5	C6H6BrN	172.024

反应信息

• 作为反应物：
  描述：

  5-溴-4-氯-2-甲基吡啶 在 邻苯二甲酸亚胺 、 氯化镍二甲氧基乙烷 、 乙酰氧肟酸 、 [Ir(dF(CF₃)ppy)₂(dtbbpy)](PF₆) 、 2-叔丁基-1,1,3,3-四甲基胍 、 [Ni(dtbbpy)(H₂O)₄]Cl₂ 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 生成 tert-butyl (4R)-4-hydroxy-2-(4-hydroxy-6-methylpyridin-3-yl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] RIPK1 INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS DE LA RIPK1 ET MÉTHODES D'UTILISATION

  摘要：

  Described herein are compounds of Formula I I, or a pharmaceutically acceptable salt thereof. The compounds of Formula I act as RIPK1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for RIPK1-related diseases.

  公开号：

  WO2022231928A1
• 作为产物：
  描述：

  2-甲基-5-溴吡啶-N-氧化物 在 盐酸 、 硫酸 、 硝酸 、 三氯化磷 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 反应 79.0h， 生成 5-溴-4-氯-2-甲基吡啶
  参考文献：
  名称：

  一类RORγ抑制剂、其制备方法及其在医药上的应用

  摘要：

  本说明书提供了具有化学式(I)的化合物：或其药学上可接受的盐、氘代化合物、互变异构体、顺反异构体、内消旋体、外消旋体、对映异构体、非对映异构体或其混合物，用于制备此类化合物的方法，以及此类化合物作为RORγ抑制剂的用途。

  公开号：

  CN113912597B

文献信息

• Aryl Ether-Base Kinase Inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20130237555A1

  公开（公告）日：2013-09-12

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开涉及一般可抑制AAK1（适配器相关激酶1）的化合物，包括这些化合物的组合物，以及抑制AAK1的方法。
• [EN] INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS<br/>[FR] COMPOSÉS D'INDOLE OU BENZIMIDAZOLE CONVENANT COMME INHIBITEURS DE LA KINASE MTOR
  申请人：AMGEN INC

  公开号：WO2010096314A1

  公开（公告）日：2010-08-26

  The present invention provides compounds that are kinase inhibitors, specifically PIK kinase inhibitors, more specifically, mTOR inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of kinases, specifically PIK kinase inhibitors, more specifically, mTOR such as cancer. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一种激酶抑制剂化合物，具体来说是PIK激酶抑制剂，更具体地说是mTOR抑制剂，因此适用于治疗通过抑制激酶治疗的疾病，特别是PIK激酶抑制剂，更具体地说是mTOR抑制剂，例如癌症。还提供了含有这些化合物的药物组合物和制备这些化合物的方法。
• GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  申请人：Ashweek Neil

  公开号：US20100184741A1

  公开（公告）日：2010-07-22

  GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R 1a , R 1b , R 1c , R 1d , R 2 , R 2a , and A are as defined herein, including stereoisomers, esters, solvates, and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了具有在男性和女性中治疗各种性激素相关疾病用途的GnRH受体拮抗剂。本发明的化合物具有以下结构：其中R1a，R1b，R1c，R1d，R2，R2a和A如此定义，包括立体异构体，酯类，溶剂化物和其药学上可接受的盐。还揭示了含有本发明化合物与药学上可接受的载体结合的组合物，以及与其相关的用于在需要时拮抗促性腺激素释放激素的方法。
• Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors
  申请人：Boezio Alessandro

  公开号：US20120165334A1

  公开（公告）日：2012-06-28

  The present invention provides compounds that are kinase inhibitors, specifically PIK kinase inhibitors, more specifically, mTOR inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of kinases, specifically PIK kinase inhibitors, more specifically, mTOR such as cancer. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一种激酶抑制剂，具体地说是PIK激酶抑制剂，更具体地说是mTOR抑制剂，因此适用于治疗通过抑制激酶，特别是PIK激酶抑制剂，更具体地说是mTOR抑制剂可治疗的疾病，例如癌症。还提供了含有这种化合物的药物组合物和制备这种化合物的方法。
• Aryl Lactam Kinase Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20140038999A1

  公开（公告）日：2014-02-06

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开涉及一般用于抑制适配器相关激酶1（AAK1）的化合物、包含此类化合物的组合物以及抑制AAK1的方法。