2-氯-4-吡咯烷吡啶 | 874758-84-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氯-4-吡咯烷吡啶
• 英文名称: 2-chloro-4-(pyrrolidin-1-yl)-pyridine
• 英文别名: 2-Chloro-4-pyrrolidinopyridine；2-chloro-4-pyrrolidin-1-ylpyridine
• CAS: 874758-84-6
• 化学式: C₉H₁₁ClN₂
• 分子量: 182.653
• InChiKey: BCJAIBOGGBWBGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-4-pyrrolidinopyridine
Synonyms: 2-Chloro-4-(pyrrolidin-1-yl)pyridine

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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-Chloro-4-pyrrolidinopyridine
CAS number: 874758-84-6

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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: C9H11ClN2
Molecular weight: 182.7

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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 chloride.

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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-氯-4-吡咯烷吡啶 在 bis-triphenylphosphine-palladium(II) chloride 正丁基锂 、 N,N-二甲基乙醇胺 、 三苯基膦 作用下， 以 正己烷 、 xylene 为溶剂， 反应 23.0h， 生成 2-(6-(pyridin-2-yl)-4-(pyrrolidin-1-yl)pyridin-2-yl)pyridine
  参考文献：
  名称：

  Pyrrolidine-Containing Polypyridines: New Ligands for Improved Visible Light Absorption by Ruthenium Complexes

  摘要：

  A range of new electron-releasing pyrrolidine-containing bipyridines and terpyridines has been prepared via selective metalation-cross-coupling sequences. The obtained ligands have been involved in microwave-assisted ruthenium complexation leading to homoleptic complexes in high yield. The electron-donor effect of the pyrrolidine nucleus led to a notable improvement of visible light absorption and strong changes in the electrochemical behavior, opening new opportunities for the design of photovoltaic devices.

  DOI：

  10.1021/jo051994k
• 作为产物：
  描述：

  4-吡咯烷基吡啶 在 正丁基锂 、 N,N-二甲基乙醇胺 、 六氯乙烷 作用下， 以 正己烷 为溶剂， 反应 3.0h， 以75%的产率得到2-氯-4-吡咯烷吡啶
  参考文献：
  名称：

  Pyrrolidine-Containing Polypyridines: New Ligands for Improved Visible Light Absorption by Ruthenium Complexes

  摘要：

  A range of new electron-releasing pyrrolidine-containing bipyridines and terpyridines has been prepared via selective metalation-cross-coupling sequences. The obtained ligands have been involved in microwave-assisted ruthenium complexation leading to homoleptic complexes in high yield. The electron-donor effect of the pyrrolidine nucleus led to a notable improvement of visible light absorption and strong changes in the electrochemical behavior, opening new opportunities for the design of photovoltaic devices.

  DOI：

  10.1021/jo051994k

文献信息

• Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts
  作者：Artis Kinens、Simonas Balkaitis、Edgars Suna

  DOI：10.1021/acs.joc.8b01687

  日期：2018.10.19

  A scalable synthesis of chiral Vedejs-type DMAP catalysts is reported. The key step of the synthesis is amination of the enantiomerically pure 4-chloropyridine derivative using well-defined ZnCl2(amine)2 complexes. A series of Zn(II)–amine complexes have been synthesized to explore the scope of the ZnCl2-mediated amination of 4-halopyridines. Mechanistic studies support a Zn(II)-facilitated nucleophilic

  报道了可手性Vedejs型DMAP催化剂的可扩展合成。合成的关键步骤是使用定义明确的ZnCl 2（胺）2络合物胺化对映体纯的4-氯吡啶衍生物。已经合成了一系列的Zn（II）-胺配合物，以研究ZnCl 2介导的4-卤代吡啶的胺化作用的范围。机理研究支持Zn（II）促进亲核芳香族取代，这是氯与胺交换的合理机制。
• [EN] CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS<br/>[FR] COMPOSÉS CYCLIQUES CONDENSÉS QUI INHIBENT LA H-PGDS<br/>[JA] Ｈ－ＰＧＤＳを阻害する縮環化合物
  申请人：SATO PHARMA

  公开号：WO2021256569A1

  公开（公告）日：2021-12-23

  本発明は、造血器型プロスタグランジンＤ合成酵素（Ｈ－ＰＧＤＳ）阻害活性を有し、前記酵素が関与する疾患の予防や治療に有用な化合物や、該化合物を含む医薬組成物を提供する。具体的には、以下の式（Ｉ）で示される化合物又はその薬学的に許容される塩を提供する。［式（Ｉ）中、Ｒ1は水素原子等を表し、Ｒ2は水素原子等を表し、Ｒ3は水素原子等を表し、Ｒ4は水素原子等を表し、Ｒ5は水素原子等を表し、Ｗは酸素原子等を表し、ＸはＣ1-6アルキル基等を表す。］