(5-溴-2-吡啶)氨基甲酸苄酯 | 175393-09-6

• 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: (5-溴-2-吡啶)氨基甲酸苄酯
• 英文名称: (5-bromo-pyridin-2-yl)-carbamic acid benzyl ester
• 英文别名: Benzyl (5-bromopyridin-2-yl)carbamate；benzyl N-(5-bromopyridin-2-yl)carbamate
• CAS: 175393-09-6
• 化学式: C₁₃H₁₁BrN₂O₂
• 分子量: 307.147
• InChiKey: XAHHPDSPSWOXMS-UHFFFAOYSA-N

物化性质

• 沸点：
  376.9±37.0 °C(Predicted)
• 密度：
  1.543±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-(Cbz-amino)pyridine
Synonyms: Benzyl 5-bromopyridin-2-ylcarbamate

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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-2-(Cbz-amino)pyridine
CAS number: 175393-09-6

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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: C13H11BrN2O2
Molecular weight: 307.1

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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：

  乙烯基正丁醚 、 (5-溴-2-吡啶)氨基甲酸苄酯 在 palladium diacetate 三乙胺 作用下， 以 乙腈 为溶剂， 生成 (5-乙酰基吡啶-2-基)氨基甲酸苄酯
  参考文献：
  名称：

  Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists

  摘要：

  公开号：

  EP0842924B1
• 作为产物：
  描述：

  2-氨基-5-溴吡啶 、 氯甲酸苄酯 在 氯仿 、 title product 、 异丙醇 作用下， 以 氯仿 为溶剂， 反应 0.25h， 生成 (5-溴-2-吡啶)氨基甲酸苄酯
  参考文献：
  名称：

  Substituted pyridines

  摘要：

  本发明涉及公式(I)的某些化合物，其有用于合成某些β-肾上腺素受体激动剂。本发明还涉及合成公式(I)化合物的过程，以及公式(II)化合物，其中R1、R2和R4在此定义，其有用于合成公式(I)化合物。本发明还涉及合成公式(II)化合物的过程。本发明还涉及合成公式(Z*)化合物的过程，其中R1、R2和Y2*在此定义。

  公开号：

  US06031105A1

文献信息

• Substituted pyridines
  申请人：Pfizer Inc.

  公开号：US06008361A1

  公开（公告）日：1999-12-28

  The present invention relates to certain compounds of the formula (I), ##STR1## which are useful in the synthesis of certain .beta.-adrenergic receptor agonists. The invention also relates to a process for synthesizing the compounds of formula (I) and to compounds of the formula (II), ##STR2## wherein R.sup.1, R.sup.2 and R.sup.4 are defined herein, which are useful in the synthesis of the compounds of formula (I). The invention also relates to a process for synthesizing a compound of formula (II). The invention further relates to processes for synthesizing compounds of formula (Z*), ##STR3## R.sup.1, R.sup.2 and Y.sup.2* are defined herein.

  本发明涉及公式（I）的某些化合物，##STR1##它们在合成某些β-肾上腺素受体激动剂方面是有用的。本发明还涉及合成公式（I）的化合物的过程，以及公式（II）的化合物，##STR2##其中R.sup.1，R.sup.2和R.sup.4在此定义，它们在合成公式（I）的化合物方面是有用的。本发明还涉及合成公式（II）的化合物的过程。本发明还涉及合成公式（Z*）的化合物的过程，##STR3##其中R.sup.1，R.sup.2和Y.sup.2*在此定义。
• US6008361A
  申请人：——

  公开号：US6008361A

  公开（公告）日：1999-12-28
• US6031105A
  申请人：——

  公开号：US6031105A

  公开（公告）日：2000-02-29
• Wright; Hageman; McClure, Journal of Heterocyclic Chemistry, 1998, vol. 35, # 3, p. 717 - 723
  作者：Wright、Hageman、McClure

  DOI：——

  日期：——
• Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists
  申请人：PFIZER INC.

  公开号：EP0842924B1

  公开（公告）日：2003-08-20