4-溴-2-甲基氨基苯胺 | 337915-79-4

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-溴-2-甲基氨基苯胺
• 中文别名: 4-溴-N2-甲基-1,2-苯二胺
• 英文名称: 4-bromo-N2-methylbenzene-1,2-diamine
• 英文别名: 5-bromo-N1-methylbenzene-1,2-diamine；4-bromo-2-methylaminoaniline；5-bromo-N-methylbenzene-1,2-diamine；4-bromo-N’-methylbenzene-1,2-diamine；4-bromo-2-N-methylbenzene-1,2-diamine
• CAS: 337915-79-4
• 化学式: C₇H₉BrN₂
• mdl: MFCD11977373
• 分子量: 201.066
• InChiKey: WQNHSCZQLLEPOM-UHFFFAOYSA-N

物化性质

• 沸点：
  289℃
• 密度：
  1.578
• 闪点：
  129℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2921590090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-N1-methylbenzene-1,2-diamine
Synonyms: 4-Bromo-N2-methylbenzene-1,2-diamine

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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-N1-methylbenzene-1,2-diamine
CAS number: 337915-79-4

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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: C7H9BrN2
Molecular weight: 201.1

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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：

  4-溴-2-甲基氨基苯胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 80.0~130.0 ℃ 、405.33 kPa 条件下， 反应 17.0h， 生成 methyl 3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylate
  参考文献：
  名称：

  [EN] CRBN LIGANDS AND USES THEREOF
  [FR] LIGANDS CRBN ET UTILISATIONS DE CES DERNIERS

  摘要：

  本发明提供了化合物、其组合物以及使用这些化合物来抑制CRBN并治疗CRBN介导的疾病的方法。

  公开号：

  WO2019060693A1
• 作为产物：
  描述：

  5-溴-2-硝基苯胺 在 乙醇 、 potassium carbonate 、 一水合肼 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 4-溴-2-甲基氨基苯胺
  参考文献：
  名称：

  苯并吡嗪类化合物及其制备方法和应用

  摘要：

  苯并吡嗪类化合物的制备方法，包括：将5‑溴‑2‑硝基苯胺溶于有机溶剂中，之后加入碱和甲基化试剂，室温下反应一段时间，得中间体III；将中间体III溶于有机溶剂中，加入还原试剂，室温反应一段时间，得中间体IV；将中间体IV溶于有机溶剂中，加入碱和1，2‑二溴乙烷，加热反应一段时间，得中间体V；将中间体V溶于有机溶剂中，加入碱和异丙基溴，加热反应一段时间，得中间体VI；将中间体VI溶于有机溶剂中，加入联硼酸频那醇酯，钯催化剂和碱，加热反应一段时间到中间体VII；将中间体VII溶于有机溶剂中，加入5‑溴吡啶衍生物、钯催化剂和碱，加热反应一段时间，得苯并吡嗪类化合物。本发明的苯并吡嗪类化合物可作为PI3K抑制剂用于抗癌治疗。

  公开号：

  CN111269213A
• 作为试剂：
  描述：

  5-溴-N-甲基-2-硝基苯胺 在 锌 甲醇 、 乙酸乙酯 、 碳酸氢钠 、 Sodium sulfate-III 、 4-溴-2-甲基氨基苯胺 作用下， 以 溶剂黄146 为溶剂， 反应 0.58h， 以affording the title compound, 4-bromo-N2-methylbenzene-1,2-diamine (1-3)的产率得到4-溴-2-甲基氨基苯胺
  参考文献：
  名称：

  Positive allosteric modulators of MGLUR2

  摘要：

  本发明涉及苯并咪唑酮衍生物，其为mGluR2受体的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及涉及mGluR2受体的疾病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗与代谢型谷氨酸受体有关的疾病，如精神分裂症中使用这些化合物和组合物的用途。

  公开号：

  US08993779B2

文献信息

• [EN] MERTK DEGRADERS AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION DE MERTK ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2020010210A1

  公开（公告）日：2020-01-09

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。
• IRAK DEGRADERS AND USES THEREOF
  申请人：Kymera Therapeutics, Inc.

  公开号：US20190192668A1

  公开（公告）日：2019-06-27

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• [EN] STAT DEGRADERS AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION DE STAT ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2021188696A1

  公开（公告）日：2021-09-23

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。
• [EN] PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS<br/>[FR] COMPOSÉS DE PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES MÉDICAUX
  申请人：LYSOSOMAL THERAPEUTICS INC

  公开号：WO2017176960A1

  公开（公告）日：2017-10-12

  The invention provides substituted pyrazolo[1,5-a]pyrimidinyl carboxamide and related organic compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., Gaucher disease, Parkinson's disease, Lewy body disease, dementia, or multiple system atrophy, in a patient. Exemplary substituted pyrazolo[1,5-a]pyrimidinyl carboxamide compounds described herein include 2-heterocyclyl-4-alkyl-pyrazolo[1,5-a]pyrirnidine-3-carboxarnide compounds and variants thereof.

  本发明提供了取代的吡唑[1,5-a]嘧啶基甲酰胺及其相关有机化合物，包含此类化合物的组合物，医疗包，以及使用此类化合物和组合物治疗医疗障碍的方法，例如，戈谢病，帕金森病，路易体病，痴呆症或多系统萎缩症。所述的代表性的取代吡唑[1,5-a]嘧啶基甲酰胺化合物包括2-杂环基-4-烷基-吡唑[1,5-a]嘧啶-3-甲酰胺化合物及其变体。
• [EN] CYCLIC INHIBITORS OF 11ß-HYDROXYSTERIOD DEHYDROGENASE 1<br/>[FR] INHIBITEURS CYCLIQUES DE LA 11?-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE 1
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2009017664A1

  公开（公告）日：2009-02-05

  This invention relates to novel compounds of the Formula (I), (Ia), (Ib), (Ic), (Id), (Ie), (If), (Ig), (Ih); (Ii); (Ij), (Ik), (II) pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful for the therapeutic treatment of diseases associated with the modulation or inhibition of 11 β-HSD1 in mammals. The invention further relates to pharmaceutical compositions of the novel compounds and methods for their use in the reduction or control of the production of cortisol in a cell or the inhibition of the conversion of cortisone to cortisol in a cell.

  本发明涉及式(I)、(Ia)、(Ib)、(Ic)、(Id)、(Ie)、(If)、(Ig)、(Ih)；(Ii)；(Ij)，(Ik)，(II)的新颖化合物，其药用可接受的盐以及药物组合物，这些化合物对于治疗与调节或抑制哺乳动物中的11β-HSD1相关的疾病是有用的。本发明进一步涉及新颖化合物的药物组合物及其在减少或控制细胞中皮质醇的产生或抑制细胞中将可的松转化为皮质醇的方法。