5-溴嘧啶-2-羧酰胺 | 38275-60-4

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-溴嘧啶-2-羧酰胺
• 英文名称: 5-Brom-pyrimidin-2-carbonsaeure-amid
• 英文别名: 5-Brom-2-carbamoyl-pyrimidin；5-bromo-pyrimidine-2-carboxylic acid amide；5-bromopyrimidine-2-carboxamide
• CAS: 38275-60-4
• 化学式: C₅H₄BrN₃O
• 分子量: 202.01
• InChiKey: UANMMCVKKMRRPB-UHFFFAOYSA-N

物化性质

• 熔点：
  209 °C
• 沸点：
  391.7±34.0 °C(Predicted)
• 密度：
  1.823±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromopyrimidine-2-carboxamide
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: 5-Bromopyrimidine-2-carboxamide
CAS number: 38275-60-4

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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.
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: C5H4BrN3O
Molecular weight: 202.0

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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-溴嘧啶-2-羧酰胺 在 乙醚 、 乙醇 、 镍 、 三氯氧磷 作用下， 生成 N,N-diethylpyrimidine-2-carboxamide
  参考文献：
  名称：

  Robba, Annales de Chimie (Cachan, France), 1960, vol. <13>5, p. 351,399,402

  摘要：

  DOI：
• 作为产物：
  描述：

  5-溴-2-嘧啶甲酸甲酯 在 甲醇 、 氨 作用下， 生成 5-溴嘧啶-2-羧酰胺
  参考文献：
  名称：

  Robba, Annales de Chimie (Cachan, France), 1960, vol. <13>5, p. 351,399,402

  摘要：

  DOI：

文献信息

• Nickel-Catalyzed Cross-Electrophile Coupling with Organic Reductants in Non-Amide Solvents
  作者：Lukiana L. Anka-Lufford、Kierra M. M. Huihui、Nicholas J. Gower、Laura K. G. Ackerman、Daniel J. Weix

  DOI：10.1002/chem.201602668

  日期：2016.8.8

  coupling of aryl halides with alkyl halides has thus far been primarily conducted with stoichiometric metallic reductants in amide solvents. This report demonstrates that the use of tetrakis(dimethylamino)ethylene (TDAE) as an organic reductant enables the use of non‐amide solvents, such as acetonitrile or propylene oxide, for the coupling of benzyl chlorides and alkyl iodides with aryl halides. Furthermore

  迄今为止，芳基卤化物与烷基卤化物的亲电子交叉偶联主要是在酰胺溶剂中使用化学计量的金属还原剂进行的。该报告表明，使用四（二甲基氨基）乙烯（TDAE）作为有机还原剂可以使用非酰胺溶剂（如乙腈或环氧丙烷）将苄基氯和烷基碘与芳基卤化物偶合。此外，这些条件适用于几个易被锰还原的贫电子杂环。最后，我们证明TDAE的添加可以用作控制反应，以“保持”反应而不降低收率或催化剂活性。
• Robba; Delaby, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1959, vol. 248, p. 250
  作者：Robba、Delaby

  DOI：——

  日期：——