2,5-二溴-6-甲基吡啶 | 39919-65-8

• 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: 2,5-二溴-6-甲基吡啶
• 中文别名: 2-甲基-3,6-二溴吡啶；2,4-二氯苯胺；3.6-二溴-2-皮考啉；3,6-二溴-2-甲基吡啶
• 英文名称: 2,5-dibromo-6-methylpyridine
• 英文别名: 3,6-dibromo-2-methylpyridine
• CAS: 39919-65-8
• 化学式: C₆H₅Br₂N
• 分子量: 250.92
• InChiKey: UCHKRHGVKYVGTC-UHFFFAOYSA-N

物化性质

• 熔点：
  0°C
• 沸点：
  0°C
• 密度：
  1.911±0.06 g/cm3(Predicted)
• 闪点：
  0°C
• 溶解度：
  溶于甲醇
• 稳定性/保质期：
  常规情况下不会分解，也没有任何危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 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

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R22
• WGK Germany：
  3
• 海关编码：
  2933399090
• 危险品运输编号：
  UN 2811 6.1/PG 3
• 包装等级：
  III
• 危险标志：
  GHS05,GHS06
• 危险性描述：
  H301,H318
• 危险性防范说明：
  P280,P301 + P310,P305 + P351 + P338
• 储存条件：
  密封保存，置于阴凉干燥处。

SDS

3,6-Dibromo-2-methylpyridine Revision number: 5.3
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 3,6-Dibromo-2-methylpyridine

Revision number: 5.3

---

Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Acute toxicity (Oral) Category 4
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritation Category 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Harmful if swallowed
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Do not eat, drink or smoke when using this product.
[Prevention]
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 3,6-Dibromo-2-methylpyridine
>98.0%(GC)(T)
Percent:
CAS Number: 39919-65-8
3,6-Dibromo-2-methylpyridine

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Synonyms: 3,6-Dibromo-2-picoline
Chemical Formula: C6H5Br2N

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Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Get medical advice/attention if you feel unwell.
Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
Skin contact:
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

---

Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
from the chemical:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.
3,6-Dibromo-2-methylpyridine

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: Very pale yellow - Pale yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:38°C
Boiling point/range: No data available
No data available
Flash point:
Flammability or explosive
limits:
Lower: No data available
No data available
Upper:
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents]
Soluble: Methanol
2.89
Log Pow:

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen bromide
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP = No data available
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: 2.89
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):
3,6-Dibromo-2-methylpyridine

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

2,5-二溴-6-甲基吡啶是一种吡啶类有机化合物，可作为医药中间体使用。

反应信息

• 作为反应物：
  描述：

  2,5-二溴-6-甲基吡啶 在 盐酸 、 甲烷磺酸 、 碘代三甲硅烷 、 2,6-二叔丁基-4-甲基苯酚 、 二氯双[二叔丁基-(4-二甲基氨基苯基)膦]钯(II) 、 potassium hydrogencarbonate 、 一水合肼 、 sodium iodide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 、 异丙醇 、 乙腈 为溶剂， 反应 81.5h， 生成 1-乙基-7-[2-甲基-6-(4H-1,2,4-三唑-3-基)吡啶-3-基]-3,4-二氢吡嗪并[2,3-b]吡嗪-2(1H)-酮
  参考文献：
  名称：

  PHARMACEUTICAL FORMULATIONS, PROCESSES, SOLID FORMS AND METHODS OF USE RELATING TO 1-ETHYL-7-(2-METHYL-6-(1H-1,2,4-TRIAZOL-3-YL)PYRIDIN-3-YL)-3,4-DIHYDROPYRAZINO[2,3-b]PYRAZIN-2(1H)-ONE

  摘要：

  以下提供了与1-乙基-7-(2-甲基-6-(1H-1,2,4-三唑-3-基)吡啶-3-基)-3,4-二氢吡嗪[2,3-b]吡嗪-2(1H)-酮相关的配方、工艺、固体形式和使用方法。

  公开号：

  US20140315908A1
• 作为产物：
  描述：

  2-氨基-5-溴-6-甲基吡啶 在 氢溴酸 、 溴 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.5h， 以64.8%的产率得到2,5-二溴-6-甲基吡啶
  参考文献：
  名称：

  具有改善的hERG和抗结核分枝杆菌的体内功效的新型基于N-联氨基氨基哌啶的促旋酶抑制剂

  摘要：

  DNA促旋酶是开发抗结核分枝杆菌药物的临床验证靶标（MTB）。尽管有希望将氟喹诺酮类药物（FQs）用作抗结核药物，但先前对FQs耐药的流行很可能会限制其临床价值。我们描述了一种新型的N-连接的氨基哌啶基烷基喹诺酮类和萘啶酮类，通过抑制DNA促旋酶活性杀死Mtb。DNA促旋酶的抑制机制与氟喹诺酮类截然不同，其抑制氟喹诺酮类抗性Mtb生长的能力证明了这一点。生化研究表明，该类化合物通过单链裂解而不是双链裂解发挥作用，如氟喹诺酮类药物所见。这些化合物对细胞外和细胞内的Mtb具有高度的杀菌作用。铅的优化导致鉴定了具有改善的口服生物利用度并降低了心脏离子通道负担的有效化合物。该系列化合物在各种结核病鼠模型中均有效。

  DOI：

  10.1021/jm500432n

文献信息

• 三唑并哒嗪类衍生物、其制备方法、药物组合物和用途
  申请人：上海赛默罗生物科技有限公司

  公开号：CN112979655A

  公开（公告）日：2021-06-18

  本发明涉及三唑并哒嗪类衍生物、其制备方法、药物组合物和用途。本发明提供一种通式(I)所示的化合物、其顺反异构体、其对映异构体、其非对映异构体、其外消旋体、其溶剂合物、其水合物或其药学上可以接受的盐或其前体药物，其制备方法，含有该化合物的药物组合物以及所述化合物作为α5‑GABAA受体调节剂的用途，其中R1，R2和Z如说明书中所定义。
• NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES
  申请人：Bolli Martin

  公开号：US20110046170A1

  公开（公告）日：2011-02-24

  The invention relates to novel pyrimidine-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  本发明涉及新颖的嘧啶-吡啶衍生物、其制备方法及其作为药理活性化合物的应用。这些化合物特别作为免疫调节剂发挥作用。
• PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS
  申请人：Bolli Martin

  公开号：US20110212998A1

  公开（公告）日：2011-09-01

  The invention relates to novel pyridine derivatives of formula (D, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula (I) wherein A represents and the other substituents are as defined in the claims.

  本发明涉及式（D）的新吡啶衍生物、它们的制备方法以及它们作为药物活性化合物的用途。所述化合物特别是作为免疫调节剂发挥作用。式（I）中，A代表，其他取代基如权利要求中所定义。
• NOVEL COMPOUNDS AS GPR119 AGONISTS
  申请人：Mankind Pharma Ltd.

  公开号：US20170291910A1

  公开（公告）日：2017-10-12

  The present invention relates to novel compounds of formula (I) as GPR119 agonist, composition compositions containing such compounds and method of preparation thereof.

  本发明涉及式(I)的新化合物作为GPR119激动剂，包含此类化合物的组合物及其制备方法。
• [EN] CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS<br/>[FR] AZOLES TRIAZOLES D'ACIDE CYCLOHEXYLE UTILISÉS EN TANT QU'ANTAGONISTES DE LPA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019126094A1

  公开（公告）日：2019-06-27

  The present invention provides compounds of Formula (I): Formula (I) or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein all the variables are as defined herein. These compounds are selective LPA receptor inhibitors.

  本发明提供了化合物的结构式（I）：结构式（I）或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物是选择性LPA受体抑制剂。