N-(3,4-二甲基苯基)-2-溴苯甲酰胺 | 303991-53-9

• 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-(3,4-二甲基苯基)-2-溴苯甲酰胺
• 中文别名: N-(3,4-二甲基苯基)2-溴苯甲酰胺
• 英文名称: 2-bromo-N-(3,4-dimethylphenyl)benzamide
• CAS: 303991-53-9
• 化学式: C₁₅H₁₄BrNO
• mdl: MFCD00783940
• 分子量: 304.186
• InChiKey: IDLSRDSIECGYON-UHFFFAOYSA-N

物化性质

• 沸点：
  341.0±42.0 °C(Predicted)
• 密度：
  1.401±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-(3,4-Dimethylphenyl) 2-bromobenzamide
Synonyms: 2-Bromo-N-(3,4-dimethylphenyl)benzamide

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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-(3,4-Dimethylphenyl) 2-bromobenzamide
CAS number: 303991-53-9

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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: C15H14BrNO
Molecular weight: 304.2

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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-(3,4-二甲基苯基)-2-溴苯甲酰胺 在 disodium telluride 、 copper(I) bromide 作用下， 以 六甲基磷酰三胺 为溶剂， 反应 0.17h， 以60%的产率得到2,2'-bis(3,4-dimethylphenyl)-1λ⁴-1,1'-spirobi[benzo[d][1,2]tellurazole]-3,3'(2H,2'H)-dione
  参考文献：
  名称：

  基于 Na2Te 的发散化学计量的无碱铜辅助合成 C2 对称螺环碲烷和联芳基化合物

  摘要：

  已经开发了一种一锅法 Cu( I ) 辅助合成方法，用于通过使用碲双阴离子从 2-溴-N-芳基苯甲酰胺、苯甲醇和苯甲酸制备具有生物学重要意义的C 2 -对称螺二氮杂、苯甲氧基和苯甲氧基碲烷。 (Te 2- ) 在无碱条件下。此外，在相同的反应条件下，通过使用过量的 Na 2 Te 制备了 C-C 偶联联芳基 1,1'-二酰胺。合成的螺二氮杂碲烷可作为还原 H 2 O 2和硝基-迈克尔反应的有效催化剂。

  DOI：

  10.1039/d2cc02181a
• 作为产物：
  描述：

  2-溴苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 生成 N-(3,4-二甲基苯基)-2-溴苯甲酰胺
  参考文献：
  名称：

  基于 Na2Te 的发散化学计量的无碱铜辅助合成 C2 对称螺环碲烷和联芳基化合物

  摘要：

  已经开发了一种一锅法 Cu( I ) 辅助合成方法，用于通过使用碲双阴离子从 2-溴-N-芳基苯甲酰胺、苯甲醇和苯甲酸制备具有生物学重要意义的C 2 -对称螺二氮杂、苯甲氧基和苯甲氧基碲烷。 (Te 2- ) 在无碱条件下。此外，在相同的反应条件下，通过使用过量的 Na 2 Te 制备了 C-C 偶联联芳基 1,1'-二酰胺。合成的螺二氮杂碲烷可作为还原 H 2 O 2和硝基-迈克尔反应的有效催化剂。

  DOI：

  10.1039/d2cc02181a

文献信息

• A Cu-catalysed synthesis of substituted 3-methyleneisoindolin-1-one
  作者：Anupal Gogoi、Srimanta Guin、Saroj K. Rout、Ganesh Majji、Bhisma K. Patel

  DOI：10.1039/c4ra12782j

  日期：——

  A Cu-catalysed synthesis of substituted isoindolin-1-one has been achieved via a decarboxylative alkynylation–heteroannulation path.

  通过脱羧炔基化-杂环化途径，已经实现了一种取代异吲哚啉-1-酮的Cu催化合成。
• Palladium-Catalyzed CC Coupling of Aryl Halides with Isocyanides: An Alternative Method for the Stereoselective Synthesis of (3E)-(Imino)isoindolin-1-ones and (3E)-(Imino)thiaisoindoline 1,1-Dioxides
  作者：Bifu Liu、Yibiao Li、Huanfeng Jiang、Meizhou Yin、Huawen Huang

  DOI：10.1002/adsc.201200212

  日期：2012.8.13

  transformation successfully extends its application for the synthesis of phenanthridines and dibenzooxazepines. This new synthetic protocol not only extends the application platform for palladium-catalyzed CC coupling of aryl halides with isocyanides, but also opens atom-economic and step-economic synthetic routes for nitrogen-containing heterocyclic compounds with wide functional group compatibility.

  钯催化的一锅环化反应，通过引入邻位结构来构建（3 E）-（亚氨基）异吲哚啉-1-酮和（3 E）-（亚氨基）硫代异吲哚啉1,1-二氧化物报道了芳基卤上的-反应性官能团。在最佳条件下，环化反应可提供具有良好立体选择性的高至优收率（最高93％）的相应产物。值得注意的是，这种转化成功地扩展了其在菲啶和二苯并恶氮ze合成中的应用。这一新的合成方案不仅扩展了芳基卤化物与异氰化物的钯催化CC偶联的应用平台，而且为具有广泛官能团相容性的含氮杂环化合物开辟了原子经济和分步经济的合成途径。