5-硝基-2-(1-吡咯烷)吡啶 | 26820-63-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 5-硝基-2-(1-吡咯烷)吡啶
• 中文别名: 5-硝基-2-(吡咯烷-1-基)吡啶
• 英文名称: 5-nitro-2-(pyrrolidin-1-yl)pyridine
• 英文别名: 5-Nitro-2-(1-pyrrolidinyl)pyridine；5-nitro-2-pyrrolidin-1-ylpyridine
• CAS: 26820-63-3
• 化学式: C₉H₁₁N₃O₂
• mdl: MFCD00119573
• 分子量: 193.205
• InChiKey: URFBPCUSVFCNSQ-UHFFFAOYSA-N

物化性质

• 溶解度：
  26.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  62
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Nitro-2-pyrrolidinopyridine
Synonyms: 5-Nitro-2-(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: 5-Nitro-2-pyrrolidinopyridine
CAS number: 26820-63-3

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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: C9H11N3O2
Molecular weight: 193.2

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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-硝基-2-(1-吡咯烷)吡啶 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 生成 6-吡咯烷-1-基吡啶-3-胺
  参考文献：
  名称：

  细胞周期蛋白依赖性激酶 7 和 9 强效抑制剂的发现：设计、合成、构效关系分析和生物学评价

  摘要：

  两个靶点：4-(咪唑并[1,2- a ]嘧啶-3-基)- N -吡啶基嘧啶-2-胺被发现不仅是细胞周期蛋白依赖性激酶 (CDK) 7 和 9 的有效抑制剂，而且还有效针对一系列人类癌细胞系的抗增殖剂。细胞机制研究的结果支持观察到的抗增殖作用可能源于两种 CDK 的抑制。该手稿的先前版本已存放在预印本服务器上 (https://doi.org/10.2139/ssrn.4210989 ).

  DOI：

  10.1002/cmdc.202200582
• 作为产物：
  描述：

  2-羟基-5-硝基吡啶 在 18-冠醚-6 、 五氯化磷 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙腈 、 三氯氧磷 为溶剂， 反应 16.0h， 生成 5-硝基-2-(1-吡咯烷)吡啶
  参考文献：
  名称：

  Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands

  摘要：

  含有杂环吡唑基的羧酰胺和脲化合物作为辣椒素受体配体，含有这些化合物的药物组合物，以及使用这些化合物治疗和/或抑制疼痛以及进一步疾病和/或疾病的方法。

  公开号：

  US20130029962A1

文献信息

• [EN] SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES<br/>[FR] DÉRIVÉS AZA HÉTÉROCYCLIQUES SUBSTITUÉS
  申请人：GRUENENTHAL GMBH

  公开号：WO2013013817A1

  公开（公告）日：2013-01-31

  The invention relates to heterocyclic aza derivatives as vanilloid receptor ligands, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  这项发明涉及杂环氮杂基衍生物作为辣椒素受体配体，含有这些化合物的药物组合物，以及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。
• Anti-Viral Compounds
  申请人：DeGoey David A.

  公开号：US20100317568A1

  公开（公告）日：2010-12-16

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) are described. This invention also relates to processes of making such compounds, compositions comprising such compounds, and methods of using such compounds to treat HCV infection.

  描述了一种有效抑制丙型肝炎病毒（“HCV”）复制的化合物。本发明还涉及制备这种化合物的方法、包含这种化合物的组合物，以及使用这种化合物治疗HCV感染的方法。
• [EN] P300/CBP HAT INHIBITORS<br/>[FR] INHIBITEURS D'HAT P300/CBP
  申请人：CONSTELLATION PHARMACEUTICALS INC

  公开号：WO2019161162A1

  公开（公告）日：2019-08-22

  Provided are compounds of Formula (I): and pharmaceutically acceptable salts and compositions thereof, which are useful for treating a variety of conditions associated with histone acetyltransferase (HAT).

  提供的是Formula (I)的化合物及其药用可接受的盐和组合物，可用于治疗与组蛋白乙酰转移酶（HAT）相关的各种疾病。
• Substituted Heterocyclic Aza Compounds
  申请人：FRANK Robert

  公开号：US20130029961A1

  公开（公告）日：2013-01-31

  Heterocyclic aza compounds as vanilloid receptor ligands, pharmaceutical compositions containing these compounds and also methods of using these compounds for the treatment and/or inhibition of pain and further diseases and/or disorders.

  杂环氮化合物作为辣椒素受体配体，含有这些化合物的药物组合物，以及使用这些化合物用于治疗和/或抑制疼痛以及其他疾病和/或疾病的方法。
• Amination of Heteroaryl Chlorides: Palladium Catalysis or S_NAr in Green Solvents?
  作者：Katie Walsh、Helen F. Sneddon、Christopher J. Moody

  DOI：10.1002/cssc.201300239

  日期：2013.8

  reaction of heteroaryl chlorides in the pyrimidine, pyrazine and quinazoline series with amines in water in the presence of KF results in a facile SNAr reaction and N‐arylation. The reaction is less satisfactory with pyridines unless an additional electron‐withdrawing group is present. The results showed that the transition‐metal‐free SNAr reaction not only compares favourably to palladium‐catalysed

  嘧啶、吡嗪和喹唑啉系列中的杂芳基氯化物与水中的胺在 KF 存在下发生反应，导致容易的 S N Ar 反应和N芳基化。除非存在额外的吸电子基团，否则吡啶的反应不太令人满意。结果表明，无过渡金属的 S N Ar 反应不仅优于钯催化的偶联反应，而且在碱和溶剂方面也可以在环境可接受的（“绿色”）条件下进行。