2-哌啶乙酸乙酯 | 2739-99-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-哌啶乙酸乙酯
• 中文别名: 2-(2-哌啶基)乙酸乙酯
• 英文名称: 2-ethoxycarbonylmethylpiperidine
• 英文别名: Ethyl piperidin-2-ylacetate；ethyl 2-piperidin-2-ylacetate
• CAS: 2739-99-3
• 化学式: C₉H₁₇NO₂
• mdl: MFCD09752674
• 分子量: 171.239
• InChiKey: SEJLPOWVAACXJQ-UHFFFAOYSA-N

物化性质

• 熔点：
  125 °C
• 沸点：
  105 °C(Press: 14 Torr)
• 密度：
  0.969±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl piperidin-2-ylacetate
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: Ethyl piperidin-2-ylacetate
CAS number: 2739-99-3

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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, 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.

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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: C9H17NO2
Molecular weight: 171.2

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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：

  2-哌啶乙酸乙酯 在 lithium aluminium tetrahydride 、 正丁基锂 、 10 wt% Pd(OH)2 on carbon 、 Lipase from Burkholeria cepacia 、 甲酸铵 、 二异丙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 aq. phosphate buffer 、 乙醇 、 正己烷 、 二氯甲烷 、 水 为溶剂， 反应 126.0h， 生成 硫酸司巴丁
  参考文献：
  名称：

  （−）‐ Sparteine替代物和（−）‐ Sparteine的克级合成

  摘要：

  （-）-天冬氨酸替代品的8步克级合成（22％的收率，仅进行3次色谱纯化）和（-）-天冬氨酸的10步克级合成（31％的收率）报告。两种合成都进行了完全的非对映控制，并允许使用任一对映体。由于合成过程不依赖天然产物的提取，因此我们的工作解决了与这些广泛使用的手性配体有关的长期供应问题。

  DOI：

  10.1002/anie.201710261
• 作为产物：
  描述：

  2-吡啶乙酸乙酯 在 盐酸 、 platinum(IV) oxide 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 以91%的产率得到2-哌啶乙酸乙酯
  参考文献：
  名称：

  （−）‐ Sparteine替代物和（−）‐ Sparteine的克级合成

  摘要：

  （-）-天冬氨酸替代品的8步克级合成（22％的收率，仅进行3次色谱纯化）和（-）-天冬氨酸的10步克级合成（31％的收率）报告。两种合成都进行了完全的非对映控制，并允许使用任一对映体。由于合成过程不依赖天然产物的提取，因此我们的工作解决了与这些广泛使用的手性配体有关的长期供应问题。

  DOI：

  10.1002/anie.201710261

文献信息

• Novel piperidine compouds and drugs containing the same
  申请人：——

  公开号：US20030220368A1

  公开（公告）日：2003-11-27

  The present invention provides a novel compound having a superior Na + channel inhibition activity. Namely, it provides a compound represented by the following formula (I), a salt thereof or a hydrate of them. 1 In the formula, the ring A represents a ring represented by the formula: 2 (wherein R 1 represents a hydrogen atom etc.; and R 2 represents indicates a hydrogen atom and the like) etc.; W represents an optionally substituted C 1-6 alkylene group etc.; Z represents an optionally substituted C 6-14 aromatic hydrocarbon cyclic group etc.; and l represents an integer from 0 to 6.

  本发明提供了一种具有优越的Na + 通道抑制活性的新型化合物。即提供了由以下式（I）表示的化合物，其盐或其水合物。 在该式中，环A表示由以下式表示的环： （其中R 1 表示氢原子等；R 2 表示表示氢原子等）等；W表示可选地取代的C 1-6 烷基等；Z表示可选地取代的C 6-14 芳香烃环基等；l表示0到6的整数。
• Immunopotentiator agents
  申请人：Eli Lilly and Company

  公开号：US06664271B1

  公开（公告）日：2003-12-16

  Novel compounds and methods for preparing same, immunopotentiating compositions, and a method for potentiating the immune system of a host animal. The method comprises administering to the animal an effective amount of an immunopotentiating compound of Formula I or Formula II, or a physiologically acceptable salt.

  新化合物和制备方法，免疫增强组合物，以及增强宿主动物免疫系统的方法。该方法包括向动物施用公式I或公式II的免疫增强化合物或生理上可接受的盐的有效量。
• [EN] SUBSTITUTED SULFONAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE SULFONAMIDES SUBSTITUÉS
  申请人：GRUENENTHAL GMBH

  公开号：WO2009090055A1

  公开（公告）日：2009-07-23

  The invention relates to substituted sulfonamide derivatives of the general formula (I'); processes for their preparation, medicaments containing these compounds, and the use of substituted sulfonamide derivatives for the preparation of medicaments

  该发明涉及一般式（I'）的取代磺胺基衍生物，其制备方法，含有这些化合物的药物，以及用于制备药物的取代磺胺基衍生物的用途
• [EN] HEPATITIS B CORE PROTEIN MODULATORS<br/>[FR] MODULATEURS DES PROTÉINES DU NOYAU DE L'HÉPATITE B
  申请人：ASSEMBLY BIOSCIENCES INC

  公开号：WO2018053157A1

  公开（公告）日：2018-03-22

  The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound of formula:

  本公开提供了部分具有对乙型肝炎病毒Cp的变构效应物性的化合物。本文还提供了治疗病毒感染（如乙型肝炎）的方法，包括向需要的患者施用公开的化合物的公式：
• Continuous Flow Hydrogenation of Functionalized Pyridines
  作者：Muhammed Irfan、Elena Petricci、Toma N. Glasnov、Maurizio Taddei、C. Oliver Kappe

  DOI：10.1002/ejoc.200801131

  日期：2009.3

  high yields. For disubstituted pyridines, variations in stereoselectivity were observed depending on both the metal catalyst and the temperature/pressure of the hydrogenation reaction. For ethyl nicotinate the selectivity between partial and full hydrogenation could be tuned depending on the hydrogen pressure, solvent, and the choice of supported metal catalyst. Changing the hydrogen source from H2O

  取代吡啶的多相加氢是通过采用连续流动加氢装置完成的，该装置结合了通过电解水和预装催化剂盒原位产生氢气。总的来说，无论负载的贵金属催化剂（Pd/C、Pt/C或Rh/C）如何，加氢反应都能顺利进行。通过在 60–80 °C 下使用 30–80 bar 的氢气压力，通常可以在所有情况下以 0.5 mL min–1 的流速实现完全转化，从而以高收率提供相应的哌啶。对于二取代吡啶，观察到立体选择性的变化取决于金属催化剂和氢化反应的温度/压力。对于烟酸乙酯，部分氢化和完全氢化之间的选择性可以根据氢气压力进行调整，溶剂，以及负载型金属催化剂的选择。将氢源从 H2O 更改为 D2O 可以制备氘代衍生物。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)