5-溴-2-甲基氨基-3-硝基-4-皮考啉 | 155790-01-5

• 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-甲基氨基-3-硝基-4-皮考啉
• 中文别名: 5-溴-2-甲基氨基-3-硝基-4-甲基吡啶
• 英文名称: 5-bromo-4-methyl-2-methylamino-3-nitropyridine
• 英文别名: 5-bromo-N,4-dimethyl-3-nitropyridin-2-amine
• CAS: 155790-01-5
• 化学式: C₇H₈BrN₃O₂
• 分子量: 246.063
• InChiKey: FUXNDASZVILVLM-UHFFFAOYSA-N

物化性质

• 沸点：
  322.4±42.0 °C(Predicted)
• 密度：
  1.680±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：
  1
• 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
• 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-2-methylamino-3-nitro-4-picoline
Synonyms: 5-Bromo-N,4-dimethyl-3-nitropyridin-2-amine; 5-Bromo-4-methyl-2-methylamino-3-nitropyridine

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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-2-methylamino-3-nitro-4-picoline
CAS number: 155790-01-5

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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.
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: C7H8BrN3O2
Molecular weight: 246.1

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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：

  5-溴-2-甲基氨基-3-硝基-4-皮考啉 在 镍 四(三苯基膦)钯 、 氢气 、 sodium formate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 3,7-dimethylimidazo<4,5-b>pyridin-2-one
  参考文献：
  名称：

  Lindstroem, Stefan; Ahmad, Tania; Grivas, Spiros, Heterocycles, 1994, vol. 38, # 3, p. 529 - 540

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(甲基氨基)-4-甲基吡啶 在 硫酸 、 溴 、 硝酸 作用下， 以 溶剂黄146 为溶剂， 反应 2.0h， 生成 5-溴-2-甲基氨基-3-硝基-4-皮考啉
  参考文献：
  名称：

  Lindstroem, Stefan; Ahmad, Tania; Grivas, Spiros, Heterocycles, 1994, vol. 38, # 3, p. 529 - 540

  摘要：

  DOI：

文献信息

• [EN] NRF2 REGULATORS<br/>[FR] RÉGULATEURS DE NRF2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016202253A1

  公开（公告）日：2016-12-22

  Provided are aryl analogs，pharmaceutical compositions containing them and their use as NRF2 regulators.

  提供芳基类似物，含有它们的药物组合物以及它们作为NRF2调节剂的用途。
• Nrf2 regulators
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US10144731B2

  公开（公告）日：2018-12-04

  The present invention relates to bis aryl analogs, pharmaceutical compositions containing them and their use as Nrf2 regulators.

  本发明涉及双芳基类似物、含有它们的药物组合物以及它们作为 Nrf2 调节剂的用途。
• Lindstroem Stefan, Ahmad Tania, Grivas Spiros, Heterocycles, 38 (1994) N 3, S 529-540
  作者：Lindstroem Stefan, Ahmad Tania, Grivas Spiros

  DOI：——

  日期：——
• NRF2 REGULATORS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：EP3083614A1

  公开（公告）日：2016-10-26
• SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20180125826A1

  公开（公告）日：2018-05-10

  Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones as NR2B receptor ligands. Such compounds may be used in NR2B receptor modulation and in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by NR2B receptor activity.