2-(2-溴苯基)-N-甲基乙酰胺 | 141438-47-3

• 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: 2-(2-溴苯基)-N-甲基乙酰胺
• 英文名称: 2-(2-bromophenyl)-N-methylacetamide
• CAS: 141438-47-3
• 化学式: C₉H₁₀BrNO
• 分子量: 228.088
• InChiKey: GLJWLOQCRSVLGH-UHFFFAOYSA-N

物化性质

• 熔点：
  102-104 °C
• 沸点：
  386.2±25.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(2-Bromophenyl)-N-methylacetamide
Synonyms:

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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: 2-(2-Bromophenyl)-N-methylacetamide
CAS number: 141438-47-3

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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: C9H10BrNO
Molecular weight: 228.1

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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：

  2-(2-溴苯基)-N-甲基乙酰胺 在 aluminum (III) chloride 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 2-(2-溴苯基)-N-甲基乙胺
  参考文献：
  名称：

  Ni催化的碳-碳键形成还原胺化

  摘要：

  本报告描述了一种三组分、Ni 催化的还原偶联，它能够聚合合成二苯甲基叔胺，这是传统还原胺化方法难以获得的。该反应利用仲 N-三甲基甲硅烷基胺与苯甲醛缩合原位生成的亚胺离子，这些物质与几种不同类别的有机亲电试剂发生反应。抗偏头痛药物氟桂利嗪 (Sibelium) 的一步合成以及帕罗西汀 (Paxil) 和美托洛尔 (Lopressor) 的高产衍生化证明了该工艺的合成价值。机理研究支持顺序氧化加成机制，而不是通过 α-氨基自由基形成进行的途径。因此，

  DOI：

  10.1021/jacs.7b12212
• 作为产物：
  描述：

  邻溴苯乙酸 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-(2-溴苯基)-N-甲基乙酰胺
  参考文献：
  名称：

  Ni催化的碳-碳键形成还原胺化

  摘要：

  本报告描述了一种三组分、Ni 催化的还原偶联，它能够聚合合成二苯甲基叔胺，这是传统还原胺化方法难以获得的。该反应利用仲 N-三甲基甲硅烷基胺与苯甲醛缩合原位生成的亚胺离子，这些物质与几种不同类别的有机亲电试剂发生反应。抗偏头痛药物氟桂利嗪 (Sibelium) 的一步合成以及帕罗西汀 (Paxil) 和美托洛尔 (Lopressor) 的高产衍生化证明了该工艺的合成价值。机理研究支持顺序氧化加成机制，而不是通过 α-氨基自由基形成进行的途径。因此，

  DOI：

  10.1021/jacs.7b12212

文献信息

• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：XIOS THERAPEUTICS INC

  公开号：WO2020106625A1

  公开（公告）日：2020-05-28

  The present invention features compounds useful in the treatment of adenosine or adenosine receptor related disorders.

  本发明涉及在治疗腺苷或腺苷受体相关疾病中有用的化合物。
• Direct One-Pot Synthesis of Phenanthrenes via Suzuki−Miyaura Coupling/Aldol Condensation Cascade Reaction
  作者：Young Ha Kim、Hyuk Lee、Yeong Joon Kim、Bum Tae Kim、Jung-Nyoung Heo

  DOI：10.1021/jo702001n

  日期：2008.1.1

  We have developed an efficient cascade reaction, a Suzuki−Miyaura coupling followed by an aldol condensation, for the construction of phenanthrene derivatives using microwave irradiation. For example, the reaction of methyl 2-bromophenylacetamide with 2-formylphenylboronic acid in the presence of a palladium catalyst and a base provided a biaryl intermediate, which underwent in situ cyclization to

  我们已经开发出了一种有效的级联反应，一种铃木-宫浦偶合，然后进行醛醇缩合，以利用微波辐射来构建菲衍生物。例如，在钯催化剂和碱的存在下，甲基2-溴苯基乙酰胺与2-甲酰基苯基硼酸的反应提供了联芳基中间体，其进行原位环化以高产率提供相应的菲。
• Copper-catalyzed tandem oxidative cyclization of arylacetamides: efficient access to N-functionalized isatins
  作者：Jie Sun、Bingxin Liu、Bin Xu

  DOI：10.1039/c3ra40657a

  日期：——

  An efficient copper-catalyzed synthesis of N-substituted isatins has been developed in good yields from easily accessible arylacetamides. A wide range of electronically and structurally varied nitrogen fragments could be assembled through this tandem C–O/C–N bond-forming process by tuning the reaction conditions.

  已经开发出一种高效的铜催化合成N-取代异烟酸的反应，能够从易于获得的芳基乙酰胺中以良好的产率合成。通过调整反应条件，可以组装多种电子和结构各异的氮基片段，采用这种串联C–O/C–N键形成的过程。
• Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations
  作者：Yang Liu、Liping Huang、Fuchun Xie、Xuxing Chen、Youhong Hu

  DOI：10.1039/c0ob01000f

  日期：——

  2-halobenzylic nitriles (esters or amides) for the synthesis of novel functional polycyclic chromenones has been developed. This tandem process involves multiple reactions, such as Michael addition and double cyclizations without a transition metal catalyst.

  从简单的3-（1-炔基）色酮与2-卤代苄腈（酯或酰胺）的碱促进的微波辅助一锅串联反应已得到开发，用于合成新型功能性多环色酮。该串联过程涉及多个反应，例如迈克尔加成和没有过渡金属催化剂的双环化。
• Pyridine derivatives and pharmaceutical compositions containing them
  申请人：AstraZeneca AB

  公开号：US06300352B1

  公开（公告）日：2001-10-09

  The invention relates to novel pyridyl derivatives, their use as medicaments, pharmaceutical formulations containing them and methods for their preparation.

  该发明涉及新型吡啶衍生物，它们的用途作为药物，含有它们的制药配方和制备它们的方法。