2-氰基-N-乙基乙酰胺 | 15029-36-4

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氰基-N-乙基乙酰胺
• 中文别名: 2-氰基-N-乙基-乙酰胺
• 英文名称: N-ethylcyanoacetamide
• 英文别名: 2-cyano-N-ethylacetamide；N-Ethyl-cyanacetamid
• CAS: 15029-36-4
• 化学式: C₅H₈N₂O
• mdl: MFCD00118415
• 分子量: 112.131
• InChiKey: VARXTXAOJGBDDV-UHFFFAOYSA-N

物化性质

• 熔点：
  73 °C
• 沸点：
  320.8±25.0 °C(Predicted)
• 密度：
  1.015±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Cyano-n-ethylacetamide
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: 2-Cyano-n-ethylacetamide
CAS number: 15029-36-4

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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: C5H8N2O
Molecular weight: 112.1

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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-氰基-N-乙基乙酰胺 在 硫化氢 、 三乙胺 作用下， 以 1,4-二氧六环 、 吡啶 为溶剂， 生成 Methyl 3-(ethylamino)-3-oxopropanimidothioate
  参考文献：
  名称：

  Sasse,K., Justus Liebigs Annalen der Chemie, 1976, p. 768 - 780

  摘要：

  DOI：
• 作为产物：
  描述：

  氰乙酸乙酯 生成 2-氰基-N-乙基乙酰胺
  参考文献：
  名称：

  ALEXANDRI, A.;BAICU, T.;SAFTA, M.

  摘要：

  DOI：

文献信息

• [EN] FTO INHIBITORS<br/>[FR] INHIBITEURS DE FTO
  申请人：NAT INST OF BIOLOGICAL SCIENCES BEIJING

  公开号：WO2016206573A1

  公开（公告）日：2016-12-29

  The invention provides compounds that inhibit FTO (fat mass and obesity), including pharmaceutically acceptable salts, hydrides and stereoisomers thereof. The compounds are employed in pharmaceutical compositions, and methods of making and use, including treating a person in need thereof, particularly obesity, with an effective amount of the compound or composition, and detecting a resultant improvement in the person's health or condition.

  这项发明提供了抑制FTO（脂肪质量和肥胖）的化合物，包括药用可接受的盐、氢化物和立体异构体。这些化合物用于制备药物组合物，以及制备和使用的方法，包括使用有效量的化合物或组合物治疗有需要的人，特别是肥胖症，并检测人的健康或状况的改善。
• [EN] TRICYCLIC COMPOUNDS AS TEC KINASE INHIBITORS<br/>[FR] COMPOSÉS TRICYCLIQUES À TITRE D'INHIBITEURS DE KINASES TEC
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2013153539A1

  公开（公告）日：2013-10-17

  The present invention is directed to tricyclic compounds of formula (I) as Tec kinase inhibitors, in particular ITK (interleukin-2 inducible tyrosine kinase) inhibitors. Also provided herein are processes for preparing compounds described herein, intermediates used in their synthesis, pharmaceutical compositions thereof, and methods for treating or preventing diseases, conditions and/or disorders mediated by ITK.

  本发明涉及公式（I）的三环化合物，作为 Tec 激酶抑制剂，特别是 ITK（白细胞介素-2诱导酪氨酸激酶）抑制剂。本文还提供了制备所述化合物的方法，用于合成它们的中间体，它们的药物组合物，以及治疗或预防由 ITK 介导的疾病、症状和/或紊乱的方法。
• Sulfamic Acid: An Efficient, Cost-Effective, and Reusable Solid Acid Catalyst for the Synthesis of 1,8-Naphthyridines Under Solvent-Free Heating and Microwave Irradiation
  作者：Y. Thirupathi Reddy、P. Raghotham Reddy、M. Nikhil Reddy、B. Rajitha、Peter A. Crooks

  DOI：10.1080/00397910802109281

  日期：2008.8.29

  Abstract An efficient and convenient method is described for the synthesis of 1,8-naphthyridines in excellent yields by condensation of 2-aminonicotinaldehyde with various active methylene compounds in the presence of sulfamic acid as the catalyst in a solvent-free media using both conventional heating and microwave irradiation.

  摘要 描述了一种高效、方便的方法，通过 2-氨基烟醛与各种活性亚甲基化合物在氨基磺酸作为催化剂的情况下，在无溶剂介质中使用常规加热进行缩合，以优异的收率合成 1,8-萘啶。和微波辐射。
• 2-氰基-3-(2,2-二氟-1,3-苯并二氧-4-基)丙 烯酸类化合物及其制备方法
  申请人：北京颖泰嘉和生物科技股份有限公司

  公开号：CN105037318B

  公开（公告）日：2018-10-12

  本发明涉及有机合成领域，公开了一种制备式(I)所示的2‑氰基‑3‑(2,2‑二氟‑1,3‑苯并二氧‑4‑基)丙烯酸类化合物的方法，该方法包括：在催化剂的存在下，将式(II)所示化合物与式(III)所示化合物接触反应，所述催化剂为碱性的含氮有机化合物，R1为NHR2或OR3，R2为H、C1‑C6的烷基或芳烃基团，R3为C1‑C6的烷基或的芳烃基团，的方法能够获得收率95％以上且纯度99重量％以上的咯菌腈中间体产品2‑氰基‑3‑(2,2‑二氟‑1,3‑苯并二氧‑4‑基)丙烯酸类化合物。
• Direct synthesis of polysubstituted 2-aminothiophenes by Cu(<scp>ii</scp>)-catalyzed addition/oxidative cyclization of alkynoates with thioamides
  作者：Li-Shi Ge、Zheng-Lin Wang、Xing-Lan An、Xiaoyan Luo、Wei-Ping Deng

  DOI：10.1039/c4ob01534g

  日期：——

  A facile and direct synthetic method was developed for the construction of structurally important 2-aminothiophenes in moderate to excellent yields (up to 91%), via Cu(II)-catalyzed addition/oxidative cyclization of readily available thioamides with alkynoates under an air atmosphere.

  开发了一种简便直接的合成方法，通过在空气氛围下铜(II)催化的硫脲与炔酸酯的加成/氧化环化反应，以中等至优异的产率（高达91%）构建结构重要的2-氨基噻吩。