N-乙基-3-吡啶甲胺 | 3000-75-7

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-乙基-3-吡啶甲胺
• 中文别名: N-(3-吡啶甲基)乙胺；N-(3-吡啶基)甲胺；N-乙基-(3-吡啶基)甲胺
• 英文名称: N-ethyl-N-(3-pyridylmethyl)amine
• 英文别名: N-(3-pyridinylmethyl)ethylamine；N-(pyridin-3-ylmethyl)ethanamine
• CAS: 3000-75-7
• 化学式: C₈H₁₂N₂
• mdl: MFCD04557869
• 分子量: 136.197
• InChiKey: SGROJTFSHJVVSF-UHFFFAOYSA-N

物化性质

• 沸点：
  217.5±15.0 °C(Predicted)
• 密度：
  0.967±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 海关编码：
  2933399090
• 包装等级：
  III
• 危险品运输编号：
  UN3259
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H314
• 储存条件：
  请将药品存放在阴凉干燥处。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Ethyl-n-(3-pyridylmethyl)amine
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: N-Ethyl-n-(3-pyridylmethyl)amine
CAS number: 3000-75-7

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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: C8H12N2
Molecular weight: 136.2

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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

制备方法与用途

用途

该物质用作化学试剂。

反应信息

• 作为反应物：
  描述：

  N-乙基-3-吡啶甲胺 在 叠氮磷酸二苯酯 、 sodium hydride 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 26.0h， 生成 N-ethyl-N-(3-pyridylmethyl)-2-(7-methyl-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide
  参考文献：
  名称：

  碳11标记的氧嘌呤类似物的合成和评估，用于正电子发射断层扫描成像中周围器官中转运蛋白（18 kDa）的成像

  摘要：

  为了开发用于在外周器官中对TSPO进行成像的PET配体，我们通过在前导化合物[ 11 C ]中引入吡啶环代替苯环，设计了三种新颖的氧嘌呤类似物[ 11 C] 3a – c（LogD：1.81–2.17）。] 2（LogD：3.48）。通过使甘氨酸7与甲基吡啶胺4反应，然后水解并与二苯基磷酰基叠氮化物进行Curtius重排，来合成用于放射合成的去甲基前体10。的甲基化10A - Ç用甲基碘产生的未标记的化合物3A - Ç。[的放射性合成11a ] 3a – c通过使10a – c与[ 11 C]甲基碘反应来进行。化合物3a – c对TSPO表现出较高或中等的体外结合亲和力（K i：5–40 nM）。大鼠中[ 11 C] 3a - c的PET表现出较高的肺，心脏和肾脏摄取，这些器官是高TSPO表达的器官。[ 11 C] 3a的代谢物分析表明，这些器官中的放射性主要与未改变的[ 11 C] 3a相对应。PET

  DOI：

  10.1021/jm200516a
• 作为产物：
  描述：

  烟酸甲酯 在 氯仿 、 五氯化磷 作用下， 生成 N-乙基-3-吡啶甲胺
  参考文献：
  名称：

  79.抗血浆作用和化学成分。第六部分 与lepidylamine有关的化合物

  摘要：

  DOI：

  10.1039/jr9420000426

文献信息

• Gold-Catalyzed Heterogeneous Aerobic Dehydrogenative Amination of α,β-Unsaturated Aldehydes to Enaminals
  作者：Xiongjie Jin、Kazuya Yamaguchi、Noritaka Mizuno

  DOI：10.1002/anie.201308260

  日期：2014.1.7

  octahedral molecular sieves OMS‐2 (Au/OMS‐2), dehydrogenative amination of α,β‐unsaturated aldehydes with amines proceeded efficiently, with the corresponding enaminals isolated in moderate to high yields (50–97 %). The catalysis was truly heterogeneous, and Au/OMS‐2 could be reused. Furthermore, the formal Wacker‐type oxidation of α,β‐unsaturated aldehydes to enaminones has been realized.

  尽管烯胺（β-烯胺）是非常重要的化合物，并已用作各种重要化合物的有用合成子，但到目前为止，它们都是通过非绿色和/或有限的方法合成的。在这里，我们已经成功地开发了一种使用非均相催化剂的绿色合成方法。在以氧化锰为基础的八面体分子筛OMS-2（Au / OMS-2）负载金纳米颗粒的情况下，α，β-不饱和醛与胺的脱氢胺化反应得以有效进行，相应的烯醇胺从中到高分离收率（50–97％）。催化确实是非均相的，并且可以重复使用Au / OMS-2。此外，已经实现了α，β-不饱和醛的正式Wacker型氧化为烯胺酮。
• 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS
  申请人：Dos Santos Victor

  公开号：US20070021609A1

  公开（公告）日：2007-01-25

  The invention relates to substituted (4-phenylpiperazin-1-yl)acylpiperidine derivatives of formula (I) in the form of a base or an addition salt with an acid, and also in the form of a hydrate or solvate, and their preparation process and therapeutic application.

  这项发明涉及以碱或酸的加成盐形式存在的取代(4-苯基哌嗪-1-基)酰基哌啶衍生物（I）以及以水合物或溶剂合物形式存在的这些衍生物，以及它们的制备过程和治疗应用。
• JAK INHIBITOR
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2108642A1

  公开（公告）日：2009-10-14

  A JAK inhibitor comprising, as an active ingredient, a nitrogen-containing heterocyclic compound represented by formula (I) wherein W represents a nitrogen atom or -CH-; X represents -C (=O) - or -CHR4- (wherein R4 represents a hydrogen atom, or the like); R1 represents the formula described below [wherein Q1 represents-CR8-(wherein R8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); Q2 represents -NR15- (wherein R15 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); and R5 and R6 may be the same or different and each represents a hydrogen atom, halogen, carboxy, substituted or unsubstituted lower alkyl, or the like], or the like; and R2 and R3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof.

  一种JAK抑制剂，其作为活性成分的是由式(I)表示的含氮杂环化合物 其中W代表氮原子或-CH-; X代表-C(=O)-或-CHR4-(其中R4代表氢原子或类似物); R1代表下述式[其中Q1代表-CR8-(其中R8代表氢原子、取代或未取代的较低烷基或类似物); Q2代表-NR15-(其中R15代表氢原子、取代或未取代的较低烷基或类似物);而R5和R6可以相同也可以不同，每个代表氢原子、卤素、羧基、取代或未取代的较低烷基或类似物，或类似物;而 R2和R3可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的较低烷基或类似物}或其药学上可接受的盐。
• [EN] NAMPT MODULATORS<br/>[FR] MODULATEURS DE NAMPT
  申请人：CYTOKINETICS INC

  公开号：WO2021159015A1

  公开（公告）日：2021-08-12

  Provided are compounds of Formula (II) or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, R5, R6, and p are as defined herein. Also provided is a pharmaceutically acceptable composition comprising a compound of Formula (II), or a pharmaceutically acceptable salt thereof. Also provided are methods of using a compound of Formula (II), or a pharmaceutically acceptable salt thereof.

  提供了公式（II）的化合物或其药用可接受盐，其中R1、R2、R3、R4、R5、R6和p如本文所定义。还提供了包含公式（II）化合物或其药用可接受盐的药用可接受组合物。还提供了使用公式（II）化合物或其药用可接受盐的方法。
• [EN] NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS<br/>[FR] NOUVEAUX AGONISTES DE RÉCEPTEURS ADRÉNERGIQUES BÊTA 3 DÉRIVÉS DE PYRROLIDINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015050798A1

  公开（公告）日：2015-04-09

  The present invention provides compounds of Formula (I), pharmaceutical compositions thereof, and method of using the same in the treatment or prevention of diseases mediated by the activation of β3-adrenoceptor.

  本发明提供了式（I）的化合物，其药物组成物以及使用该药物组成物在治疗或预防由β3-肾上腺素受体激活介导的疾病的方法。