吡啶-2-丙酸乙酯 | 2739-74-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 吡啶-2-丙酸乙酯
• 中文别名: 3-(2-吡啶基)丙酸乙酯
• 英文名称: ethyl 3-(2-pyridinyl)propanoate
• 英文别名: ethyl β-(pyridin-2-yl)-propionate；ethyl 3-(pyridin-2-yl)propanoate；ethyl 3-pyridin-2-ylpropanoate；ethyl 3-(2-pyridyl)propionate；Ethyl pyridine-2-propanoate；ethyl 3-(pyridin-2-yl)propionate
• CAS: 2739-74-4
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: MWOKKDYGYSPXIO-UHFFFAOYSA-N

物化性质

• 熔点：
  96-97 °C
• 沸点：
  258 °C(Press: 750 Torr)
• 密度：
  1.071 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 3-(pyridin-2-yl)propanoate
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 3-(pyridin-2-yl)propanoate
CAS number: 2739-74-4

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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: C10H13NO2
Molecular weight: 179.2

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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：

  吡啶-2-丙酸乙酯 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以82%的产率得到2-吡啶丙醇
  参考文献：
  名称：

  影响ω-吡啶基链烷醇，ω-吡啶基烷酰胺和ω-吡啶基烷基胺的碱性的结构因素

  摘要：

  本文件描述了通过常规方法制备（当不市售）和p ķ一个所述的α--determination，β-和pyridylethanamide的γ -异构体，3- pyridylpropanamide。4-吡啶基丁酰胺，5-吡啶基戊酰胺，吡啶甲醇，2-吡啶基乙醇，3-吡啶基丙醇，4-吡啶基丁醇，5-吡啶基戊醇，吡啶基甲胺，2-吡啶基乙胺，3-吡啶基-丙胺，4-吡啶基丁胺和5-吡啶基戊胺。尽管场效应解释了p K a随链长变化的许多变化，但在某些甲基和乙基同系物中，明显的感应效应是有效的。在P ķ一在属于α系列的一些较低的同系物中，分子内H键的递减影响也是明显的。

  DOI：

  10.1002/hlca.19820650621
• 作为产物：
  描述：

  2-(2-氯乙基)吡啶 以 二甲基亚砜 为溶剂， 生成 吡啶-2-丙酸乙酯
  参考文献：
  名称：

  影响ω-吡啶基链烷醇，ω-吡啶基烷酰胺和ω-吡啶基烷基胺的碱性的结构因素

  摘要：

  本文件描述了通过常规方法制备（当不市售）和p ķ一个所述的α--determination，β-和pyridylethanamide的γ -异构体，3- pyridylpropanamide。4-吡啶基丁酰胺，5-吡啶基戊酰胺，吡啶甲醇，2-吡啶基乙醇，3-吡啶基丙醇，4-吡啶基丁醇，5-吡啶基戊醇，吡啶基甲胺，2-吡啶基乙胺，3-吡啶基-丙胺，4-吡啶基丁胺和5-吡啶基戊胺。尽管场效应解释了p K a随链长变化的许多变化，但在某些甲基和乙基同系物中，明显的感应效应是有效的。在P ķ一在属于α系列的一些较低的同系物中，分子内H键的递减影响也是明显的。

  DOI：

  10.1002/hlca.19820650621

文献信息

• Base-Controlled Completely Selective Linear or Branched Rhodium(I)-Catalyzed C−H <i>ortho</i> -Alkylation of Azines without Preactivation
  作者：Gaël Tran、Kevin D. Hesp、Vincent Mascitti、Jonathan A. Ellman

  DOI：10.1002/anie.201702409

  日期：2017.5.15

  A [RhI]/bisphosphine/base catalytic system for the ortho‐selective C−H alkylation of azines by acrylates and acrylamides is reported. This catalytic system features an unprecedented complete linear or branched selectivity that is solely dependent on the catalytic base that is used. Complete branched selectivity is even achieved for ethyl methacrylate, which enables the introduction of a quaternary

  据报道，[Rh I ] /双膦/碱催化体系可通过丙烯酸酯和丙烯酰胺对嗪进行邻位选择性C H烷基化。该催化体系具有前所未有的完全线性或支化选择性，这完全取决于所使用的催化碱。甲基丙烯酸乙酯甚至可以实现完全支化的选择性，从而可以引入季碳中心。对于直链和支链烷基化都表现出优异的官能团相容性。这种转化的操作简便性和广泛范围使其可以快速获得具有直接制药和农用化学相关性的功能化杂志。
• Copper(II)-Catalyzed β-Borylation of Acetylenic Esters in Water
  作者：Webster Santos、Cheryl Peck、Joseph Calderone

  DOI：10.1055/s-0034-1380524

  日期：——

  presence of bis(pinacolato)diboron and catalytic amounts of both copper(II) and 4-picoline, substituted alkynoates undergo borylation in a regio-, stereo-, and chemoselective fashion. The reaction is performed under mild conditions using water as solvent and open to the atmosphere to exclusively afford (Z)-β-boryl-α,β-unsaturated esters. A method for the β-borylation of alkynoates has been developed

  摘要 已经开发了用于炔烃的β-硼酸酯化的方法。在双（频哪醇）二硼和催化量的铜（II）和4-甲基吡啶存在下，取代的炔酸以区域，立体和化学选择性方式进行硼酸酯化。该反应在温和的条件下使用水作为溶剂并在大气中进行，仅得到（Z）-β-硼基-α，β-不饱和酯。 已经开发了用于炔烃的β-硼酸酯化的方法。在双（频哪醇）二硼和催化量的铜（II）和4-甲基吡啶存在下，取代的炔酸以区域，立体和化学选择性方式进行硼酸酯化。该反应在温和的条件下使用水作为溶剂并在大气中进行，仅得到（Z）-β-硼基-α，β-不饱和酯。
• [EN] MUSCARINIC RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR MUSCARINIQUE
  申请人：HEPTARES THERAPEUTICS LTD

  公开号：WO2015140559A1

  公开（公告）日：2015-09-24

  This invention relates to compounds that are agonists of the muscarinic M1 receptor and which are useful in the treatment of muscarinic M1 receptor mediated diseases. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds. Compounds provided are of formula where m, p, q, W, Z, Y, X1, X2, R1, R2 R3 and R4 are as defined herein.

  这项发明涉及激动母胞素M1受体的化合物，这些化合物在治疗母胞素M1受体介导的疾病中很有用。还提供了含有这些化合物的药物组合物以及这些化合物的治疗用途。所提供的化合物的化学式如下，其中m、p、q、W、Z、Y、X1、X2、R1、R2、R3和R4的定义如本文所述。
• Direct synthesis of ester-containing indium homoenolate and its application in palladium-catalyzed cross-coupling with aryl halide
  作者：Zhi-Liang Shen、Kelvin Kau Kiat Goh、Colin Hong An Wong、Yong-Sheng Yang、Yin-Chang Lai、Hao-Lun Cheong、Teck-Peng Loh

  DOI：10.1039/c0cc05597b

  日期：——

  An efficient method for the synthesis of ester-containing indium homoenolate via a direct insertion of indium into beta-halo ester in the presence of CuI/LiCl was described. The synthetic utility of the indium homoenolate was demonstrated by palladium-catalyzed cross-coupling with aryl halides in DMA with wide functional group compatibility.

  描述了一种通过在CuI / LiCl存在下将铟直接插入β-卤代酯来合成含酯的均烯酸铟酯的有效方法。钯催化的与芳基卤化物在DMA中具有宽泛的官能团相容性的交叉偶联证明了烯丙基铟的合成效用。
• Thrombopoietin mimetics
  申请人：——

  公开号：US20040019190A1

  公开（公告）日：2004-01-29

  Invented are non-peptide TPO mimetics. Also invented are novel processes and intermediates used in the preparation of the presently invented compounds. Also invented is a method of treating thrombocytopenia, in a mammal, including a human, in need thereof which comprises administering to such mammal an effective amount of a selected hydroxy- 1 -azobenzene derivative.

  发明了非肽类TPO类似物。还发明了用于制备目前发明的化合物的新工艺和中间体。还发明了一种治疗血小板减少症的方法，包括给予需要的哺乳动物，包括人类，有效量的选择性羟基-1-偶氮苯衍生物。