5-甲基-1H-吡咯并[2,3-b]吡啶-3-甲醛 | 1190321-17-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 5-甲基-1H-吡咯并[2,3-b]吡啶-3-甲醛
• 英文名称: 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
• CAS: 1190321-17-5
• 化学式: C₉H₈N₂O
• mdl: MFCD12962781
• 分子量: 160.175
• InChiKey: AWKPQZFWCIMWEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• WGK Germany：
  3
• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  存储条件：2-8°C，需密封并充入惰性气体。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Methyl-1h-pyrrolo[2,3-b]pyridine-3-carbaldehyde
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-Methyl-1h-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS number: 1190321-17-5

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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, refrigerated.
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.

---

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: C9H8N2O
Molecular weight: 160.2

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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.

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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-甲基-1H-吡咯并[2,3-b]吡啶-3-甲醛 在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 反应 0.17h， 以71%的产率得到(E)-5-甲基-1H-吡咯并[2,3-b]吡啶-3-甲醛肟
  参考文献：
  名称：

  一种(E)-5-甲基-1H-吡咯并[2,3-b]吡啶-3-甲醛肟的合成方法

  摘要：

  本发明涉及一种(E)‑5‑甲基‑1H‑吡咯并[2,3‑b]吡啶‑3‑甲醛肟的合成方法。主要解决现在未见其有效合成方法的技术问题。本发明合成方法包括以下步骤：2‑氨基‑5‑甲基吡啶的溴化，得到化合物1；化合物1在Sonogashira偶联反应条件下，和三甲基乙炔基硅反应生成化合物2；化合物2和氢化钠反应，形成吡咯环，生成化合物3；化合物3和乌洛托品反应，生成化合物4；化合物4和盐酸羟胺、乙酸钠反应得到目标产物(E)‑5‑甲基‑1H‑吡咯并[2,3‑b]吡啶‑3‑甲醛肟。作为医药中间体，在制药行业中得到广泛应用。

  公开号：

  CN107056781A
• 作为产物：
  描述：

  2-氨基-3-溴-5-甲基吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 水 、 sodium hydride 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 、 mineral oil 为溶剂， 反应 4.17h， 生成 5-甲基-1H-吡咯并[2,3-b]吡啶-3-甲醛
  参考文献：
  名称：

  一种(E)-5-甲基-1H-吡咯并[2,3-b]吡啶-3-甲醛肟的合成方法

  摘要：

  本发明涉及一种(E)‑5‑甲基‑1H‑吡咯并[2,3‑b]吡啶‑3‑甲醛肟的合成方法。主要解决现在未见其有效合成方法的技术问题。本发明合成方法包括以下步骤：2‑氨基‑5‑甲基吡啶的溴化，得到化合物1；化合物1在Sonogashira偶联反应条件下，和三甲基乙炔基硅反应生成化合物2；化合物2和氢化钠反应，形成吡咯环，生成化合物3；化合物3和乌洛托品反应，生成化合物4；化合物4和盐酸羟胺、乙酸钠反应得到目标产物(E)‑5‑甲基‑1H‑吡咯并[2,3‑b]吡啶‑3‑甲醛肟。作为医药中间体，在制药行业中得到广泛应用。

  公开号：

  CN107056781A

文献信息

• NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7
  申请人：Leroy Vincent

  公开号：US20090253679A1

  公开（公告）日：2009-10-08

  The present invention relates to imidazolone derivatives of formula (I) to methods of preparing such derivatives, intermediates thereto, pharmaceutical compositions comprising such derivatives, and methods of inhibiting protein kinase, and methods of treatment comprising administration of such derivatives.

  本发明涉及式(I)的咪唑酮衍生物，涉及制备这种衍生物的方法、中间体、包含这种衍生物的药物组合物、抑制蛋白激酶的方法以及包括给予这种衍生物的治疗方法。
• SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0640080A1

  公开（公告）日：1995-03-01
• NOUVEAUX DERIVES IMIDAZOLONES, LEUR PREPARATION A TITRE DE MEDICAMENTS, COMPOSITIONS PHARMACEUTIQUES, UTILISATION COMME INHIBITEURS DE PROTEINES KINASES NOTAMMENT CDC7
  申请人：Sanofi-Aventis

  公开号：EP2094699B1

  公开（公告）日：2011-07-20
• US5380739A
  申请人：——

  公开号：US5380739A

  公开（公告）日：1995-01-10
• US8314121B2
  申请人：——

  公开号：US8314121B2

  公开（公告）日：2012-11-20