2-溴-5-乙氧基吡啶 | 42834-01-5

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-溴-5-乙氧基吡啶
• 英文名称: 2-bromo-5-ethoxypyridine
• CAS: 42834-01-5
• 化学式: C₇H₈BrNO
• 分子量: 202.051
• InChiKey: RXVSMILQHDQEDM-UHFFFAOYSA-N

物化性质

• 熔点：
  49-49.5 °C
• 沸点：
  107 °C(Press: 33 Torr)
• 密度：
  1.449±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-5-ethoxypyridine
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-Bromo-5-ethoxypyridine
CAS number: 42834-01-5

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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: C7H8BrNO
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：

  2-溴-5-乙氧基吡啶 在 水 、 氢溴酸 、 溴 作用下， 生成 2,4,6-三溴-3-羟基吡啶
  参考文献：
  名称：

  den Hertog et al., Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 1281,1286

  摘要：

  DOI：
• 作为产物：
  描述：

  5-乙氧基-2-氨基吡啶 在 水 、 氢溴酸 作用下， 生成 2-溴-5-乙氧基吡啶
  参考文献：
  名称：

  den Hertog et al., Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 673,690

  摘要：

  DOI：
• 作为试剂：
  描述：

  (1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(R)-2-hydroxy-1-(6-propoxy-pyridin-3-yl)-ethyl]-amide 、 (R)-2-Amino-2-(5-ethoxy-pyridin-2-yl)-ethanol 、 2-溴-5-乙氧基吡啶 在 2-溴-5-乙氧基吡啶 、 (1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(R)-1-(5-ethoxy-pyridin-2-yl)-2-hydroxy-ethyl]-amide 、 CO2 MeOH NH4OH 作用下， 生成 (1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(R)-1-(5-ethoxy-pyridin-2-yl)-2-hydroxy-ethyl]-amide
  参考文献：
  名称：

  NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR

  摘要：

  本发明涉及在治疗中有用的化合物，包括包含该化合物的组合物，以及通过给予该化合物来治疗疾病的方法。所涉及的化合物是尼古丁酸乙酰胆碱α7受体的正向变构调节剂（PAMs）。

  公开号：

  US20140044806A1

文献信息

• Copper(I)-Catalyzed Amination of Aryl Halides in Liquid Ammonia
  作者：Pengju Ji、John H. Atherton、Michael I. Page

  DOI：10.1021/jo301204t

  日期：2012.9.7

  of amination of iodobenzene in liquid ammonia is first order in copper(I) catalyst concentration. The small Hammett ρ = 0.49 for the amination of 4-substituted iodobenzenes in liquid ammonia at 25 °C indicates that the C–I bond is not significantly broken in the transition state structure and that there is a small generation of negative charge in the aryl ring, which is compatible with the oxidative

  液态氨（LNH 3）由铜（I）盐/抗坏血酸体系催化生成伯芳族胺，收率好至极好。所需的低浓度催化剂和易于分离的产品表明该方法具有潜在的工业应用价值。通常用于类似金属催化反应的配体是无效的。液态氨中碘苯的胺化速率是铜（I）催化剂浓度的一级。在25°C的氨水中4-取代的碘苯胺的胺化反应中小的Hammettρ= 0.49表明，C–I键在过渡态结构中没有明显断裂，并且在芳基中有一小段负电荷产生环，其与限速的铜离子的氧化加成相容。
• Pyrrolidine derivatives, pharmaceutical compositions and uses thereof
  申请人：FLECK Martin

  公开号：US20140213568A1

  公开（公告）日：2014-07-31

  The invention relates to new pyrrolidine derivatives of the formula to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及公式的新吡咯烷衍生物，涉及它们作为药物的用途，涉及它们的治疗用途的方法，以及含有它们的药物组合物。
• [EN] TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011084402A1

  公开（公告）日：2011-07-14

  The present invention relates to pyridazin-4(1H)-one derivatives, that are useful for treating cellular proliferative diseases, for treating disorders associated with MET activity, and for inhibiting the receptor tyrosine kinase MET. The invention also related to compositions which comprise these compounds, and methods of using them to treat cancer in mammals.

  本发明涉及吡啶并嗪-4(1H)-酮衍生物，用于治疗细胞增殖性疾病，治疗与MET活性相关的疾病，并抑制受体酪氨酸激酶MET。该发明还涉及包含这些化合物的组合物，以及利用它们治疗哺乳动物癌症的方法。
• TGF BETA R ANTAGONISTS
  申请人：Bristol-Myers Squibb Company

  公开号：US20160176871A1

  公开（公告）日：2016-06-23

  The invention relates generally to compounds that modulate the activity of TGFβR-1 and TGFβR-2, pharmaceutical compositions containing said compounds and methods of treating proliferative disorders and disorders of dysregulated apoptosis, such as cancer, utilizing the compounds of the invention.

  这项发明通常涉及调节TGFβR-1和TGFβR-2活性的化合物，包含这些化合物的药物组合物以及利用该发明的化合物治疗增殖性疾病和失调凋亡疾病（如癌症）的方法。
• [EN] NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS AZIRIDINE, COMPOSITIONS PHARMACEUTIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS D'ACÉTYL-COA CARBOXYLASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013092616A1

  公开（公告）日：2013-06-27

  The invention relates to new azetidine derivatives of the formula (I) wherein Ar1, Ar2, X, R, T and L are as defined in the description, to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  该发明涉及公式（I）中的新的氮杂环丙烷衍生物，其中Ar1，Ar2，X，R，T和L如描述中所定义，其用作药物，其治疗用途的方法以及含有它们的药物组合物。