N-(3-溴-5-硝基苯甲酰)吗啉 | 941294-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(3-溴-5-硝基苯甲酰)吗啉
• 中文别名: N-(3-溴-5-硝基苯甲酰基)吗啉
• 英文名称: (3-bromo-5-nitrophenyl)(morpholin-4-yl)methanone
• 英文别名: (3-Bromo-5-nitrophenyl)(morpholino)methanone；(3-bromo-5-nitrophenyl)-morpholin-4-ylmethanone
• CAS: 941294-19-5
• 化学式: C₁₁H₁₁BrN₂O₄
• mdl: MFCD09475915
• 分子量: 315.123
• InChiKey: RZUMLQTYOVVAIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-(3-Bromo-5-nitrobenzoyl)morpholine
Synonyms: (3-Bromo-5-nitrophenyl)(morpholino)methanone

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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: N-(3-Bromo-5-nitrobenzoyl)morpholine
CAS number: 941294-19-5

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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: C11H11BrN2O4
Molecular weight: 315.1

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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：

  N-(3-溴-5-硝基苯甲酰)吗啉 在 tris-(dibenzylideneacetone)dipalladium(0) 、 palladium 10% on activated carbon 、 氢气 、 palladium diacetate 、 sodium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 溶剂黄146 、 三(邻甲基苯基)磷 、 sodium t-butanolate 作用下， 以 乙二醇二甲醚 、 水 、 乙酸乙酯 、 甲苯 为溶剂， 反应 6.5h， 生成 morpholin-4-yl(5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}biphenyl-3-yl)methanone
  参考文献：
  名称：

  [EN] SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS
  [FR] INHIBITEURS DE LA PHÉNYLE TYROSINE KINASE DE LA RATE (SYK) SUBSTITUÉS

  摘要：

  公开号：

  WO2014031438A3
• 作为产物：
  描述：

  吗啉 、 3-溴-5-硝基苯甲酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N-(3-溴-5-硝基苯甲酰)吗啉
  参考文献：
  名称：

  [EN] SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS
  [FR] INHIBITEURS DE LA PHÉNYLE TYROSINE KINASE DE LA RATE (SYK) SUBSTITUÉS

  摘要：

  公开号：

  WO2014031438A3

文献信息

• SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150232428A1

  公开（公告）日：2015-08-20

  The invention provides certain substituted phenyl compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R cy , and t are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions mediated by Spleen Tyrosine Kinase (Syk).

  本发明提供了公式(I)或其药学上可接受的盐的某些取代苯基化合物，其中R1、R2、R3、R4、Rcy和t如本文中所定义。本发明还提供了包括这些化合物的制药组合物以及使用这些化合物治疗Spleen Tyrosine Kinase（Syk）介导的疾病或病症的方法。
• Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US09353066B2

  公开（公告）日：2016-05-31

  The invention provides certain substituted phenyl compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, Rcy, and t are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions mediated by Spleen Tyrosine Kinase (Syk).

  本发明提供了公式(I)的某些取代苯基化合物或其药学上可接受的盐，其中R1、R2、R3、R4、Rcy和t的定义如本文所述。本发明还提供了包括这些化合物的制药组合物，并且提供了使用这些化合物治疗由脾酪氨酸激酶（Syk）介导的疾病或病状的方法。
• SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2884982A2

  公开（公告）日：2015-06-24
• US9353066B2
  申请人：——

  公开号：US9353066B2

  公开（公告）日：2016-05-31