5-溴-2-乙基氨基-3-硝基吡啶 | 26820-37-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 5-溴-2-乙基氨基-3-硝基吡啶
• 英文名称: 5-bromo-N-ethyl-3-nitropyridin-2-amine
• CAS: 26820-37-1
• 化学式: C₇H₈BrN₃O₂
• 分子量: 246.063
• InChiKey: XQDUACRLXPWNLD-UHFFFAOYSA-N

物化性质

• 沸点：
  321.4±42.0 °C(Predicted)
• 密度：
  1.677±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 5-Bromo-2-ethylamino-3-nitropyridine
Synonyms: 5-Bromo-N-ethyl-3-nitropyridin-2-amine

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 5-Bromo-2-ethylamino-3-nitropyridine
CAS number: 26820-37-1

---

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.

---

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.
Store in closed vessels.
Storage:

---

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
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H8BrN3O2
Molecular weight: 246.1

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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：

  5-溴-2-乙基氨基-3-硝基吡啶 在 potassium phosphate 、 氯(2-二环己基膦基-2',4',6'-三异丙基-1,1'-联苯基)[2-(2'-氨基-1,1'-联苯)]钯(II) 、 四氯化钛 、 铁粉 、 氯化铵 、 溶剂黄146 、 丙二酰氯 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 15.5h， 生成 (rac)-2-(1,1-difluoroethyl)-N-(3-((4a,10b-trans)-6-ethyl-5-oxo-1,4,4a,5,6,10b-hexahydro-2H-pyrano[3,4-c][1,8]naphthyridin-9-yl)-4-methylphenyl)isonicotinamide
  参考文献：
  名称：

  [EN] TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS
  [FR] COMPOSÉS TRICYCLIQUES ET COMPOSITIONS UTILISÉS COMME INHIBITEURS DE KINASES

  摘要：

  本发明提供了如下式(A)的化合物：(I)以及所述化合物的盐，以及这些化合物用于治疗与Raf激酶活性相关的疾病的治疗用途。本发明进一步提供了包含这些化合物的药物组合物，以及包含这些化合物和治疗协同剂的组合物，以及使用这些组合物和组合物来治疗包括癌症在内的病症的方法。

  公开号：

  WO2017103824A1
• 作为产物：
  描述：

  5-溴-2-氯-3-硝基吡啶 、 乙胺 在 三乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 1.0h， 以96%的产率得到5-溴-2-乙基氨基-3-硝基吡啶
  参考文献：
  名称：

  [EN] TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS
  [FR] COMPOSÉS TRICYCLIQUES ET COMPOSITIONS UTILISÉS COMME INHIBITEURS DE KINASES

  摘要：

  本发明提供了如下式(A)的化合物：(I)以及所述化合物的盐，以及这些化合物用于治疗与Raf激酶活性相关的疾病的治疗用途。本发明进一步提供了包含这些化合物的药物组合物，以及包含这些化合物和治疗协同剂的组合物，以及使用这些组合物和组合物来治疗包括癌症在内的病症的方法。

  公开号：

  WO2017103824A1

文献信息

• Tricyclic compounds and compositions as kinase inhibitors
  申请人：Novartis AG

  公开号：US10377770B2

  公开（公告）日：2019-08-13

  The present invention provides compounds of Formula (A): (I) as described herein, and salts thereof, and therapeutic uses of these compounds for treatment of disorders associated with Raf kinase activity. The invention further provides pharmaceutical compositions comprising these compounds, and compositions comprising these compounds and a therapeutic co-agent, and methods of using the compositions and combinations to treat conditions including cancers.

  本发明提供了本文所述的式(A)：(I)化合物及其盐类，以及这些化合物治疗与Raf激酶活性相关疾病的治疗用途。本发明进一步提供了包含这些化合物的药物组合物、包含这些化合物和治疗共用试剂的组合物，以及使用这些组合物和组合物治疗包括癌症在内的疾病的方法。
• TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS
  申请人：Novartis AG

  公开号：EP3390404A1

  公开（公告）日：2018-10-24
• [EN] TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS TRICYCLIQUES ET COMPOSITIONS UTILISÉS COMME INHIBITEURS DE KINASES
  申请人：NOVARTIS AG

  公开号：WO2017103824A1

  公开（公告）日：2017-06-22

  The present invention provides compounds of Formula (A): (I) as described herein, and salts thereof, and therapeutic uses of these compounds for treatment of disorders associated with Raf kinase activity. The invention further provides pharmaceutical compositions comprising these compounds, and compositions comprising these compounds and a therapeutic co-agent, and methods of using the compositions and combinations to treat conditions including cancers.

  本发明提供了如下式(A)的化合物：(I)以及所述化合物的盐，以及这些化合物用于治疗与Raf激酶活性相关的疾病的治疗用途。本发明进一步提供了包含这些化合物的药物组合物，以及包含这些化合物和治疗协同剂的组合物，以及使用这些组合物和组合物来治疗包括癌症在内的病症的方法。