3-氨基哌啶-2-酮盐酸盐 | 138377-80-7

• 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: 3-氨基哌啶-2-酮盐酸盐
• 中文别名: 3-氨基-2-哌啶酮盐酸盐
• 英文名称: 3-aminopiperidin-2-one hydrochloride
• 英文别名: (2-oxopiperidin-3-yl)azanium;chloride
• CAS: 138377-80-7
• 化学式: C₅H₁₀N₂O*ClH
• mdl: MFCD09028970
• 分子量: 150.608
• InChiKey: NLAYLURYAOXTTE-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO（少量）、甲醇（少量）、水（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.11
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  55.1
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2933790090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Aminopiperidin-2-one, HCl
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: 3-Aminopiperidin-2-one, HCl
CAS number: 138377-80-7

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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: C5H10N2O.ClH
Molecular weight: 150.6

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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, hydrogen chloride.

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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：

  3-氨基哌啶-2-酮盐酸盐 在 AMBERLYST A₂₁ 作用下， 以 甲醇 为溶剂， 生成 3-氨基-2-哌啶酮
  参考文献：
  名称：

  [EN] NITROGEN-CONTAINING HETEROCYCLIC COMPOUND
  [FR] COMPOSÉ HÉTÉROCYCLIQUE CONTENANT DE L'AZOTE

  摘要：

  本发明提供了一种新型的化合物，作为一种ERR-α调节剂具有优越的活性，并可作为预防或治疗与ERR-α相关疾病的药物。本发明涉及一种由公式(1)表示的化合物，其中每个符号如说明书中所定义，或其盐。

  公开号：

  WO2013018929A1

文献信息

• [EN] NOVEL SULFONE AMIDE DERIVATIVES CAPABLE OF INHIBITING BACE<br/>[FR] NOUVEAUX DERIVES SULFONAMIDE CAPABLES D'INHIBER BACE
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2005030709A1

  公开（公告）日：2005-04-07

  The present invention relates to novel derivatives of sulfone amide of Formula 1 as defined in this disclosure which inhibit the activity of BACE (or beta-secretase). These sulfone amide derivatives are useful for the treatment and prevention of Alzheimer's disease and related diseases caused by production of beta-amyloid, by inhibiting the activity of BACE.

  本发明涉及本公开中定义的式1的磺酰脒衍生物，该衍生物抑制BACE（或β-分泌酶）的活性。这些磺酰脒衍生物可用于治疗和预防由β-淀粉样蛋白产生引起的阿尔茨海默病及相关疾病，通过抑制BACE的活性。
• Substituted Pyrrololactams via Ring Expansion of Spiro-2<i>H</i>-pyrroles from Intermolecular Alkyne–Isocyanide Click Reactions
  作者：Jimil George、Hun Young Kim、Kyungsoo Oh

  DOI：10.1021/acs.orglett.6b03786

  日期：2017.2.3

  The facile synthesis of 6- to 8-membered pyrrololactams has been developed using a ring expansion of spiro-2H-pyrroles, the products of intermolecular alkyne–isocyanide click reactions. The key to successful ring expansion of spiro-2H-pyrroles to pyrrololactams is the enforced orbital overlap between the internal alkene and the amide carbonyl group through the conformationally locked bicyclic structures

  利用螺-2 H-吡咯（分子间炔烃-异氰酸酯点击反应的产物）的扩环反应，可以轻松合成6至8元的吡咯内酰胺。螺2 H-吡咯成功扩环成吡咯内酰胺的关键是内部烯烃和酰胺羰基之间通过构象锁定的双环结构之间的强制轨道重叠。新近公开的α-异氰基内酰胺，点击反应的底物，应在合成重要的药学上重要的杂环化合物中找到其效用。
• [EN] QUINAZOLINE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2005075439A1

  公开（公告）日：2005-08-18

  A quinazoline derivative of the formula (I) wherein: R1, R2, R3, R3a, R4, R5, R5a R6, R7, a, m and p are as defined in the description. Also claimed are pharmaceutical compositions containing the quinazoline derivative, the use of the quinazoline derivatives as medicaments and processes for the preparation of the quinazoline derivative. The quinazoline derivatives of formula (I), are useful in the treatment of hyperproliferative disorders such as a cancer.

  一种式(I)的喹唑啉衍生物，其中：R1、R2、R3、R3a、R4、R5、R5a、R6、R7、a、m和p如描述中所定义。还声明含有该喹唑啉衍生物的药物组合物，以及将该喹唑啉衍生物用作药物和制备该喹唑啉衍生物的方法。式(I)的喹唑啉衍生物在治疗高增殖性疾病如癌症方面具有用途。
• [EN] ANTI-INFLAMMATORY AGENTS<br/>[FR] AGENTS ANTI-INFLAMMATOIRES
  申请人：CAMBRIDGE ENTPR LTD

  公开号：WO2011154696A1

  公开（公告）日：2011-12-15

  Disclosed herein are methods of preventing or treating inflammatory diseases using 3 - aminolactam compounds, each with aromatic "tail groups". Compounds as defined by formulae (I) and (I'), and the medical uses of the compounds, are described herein.

  本文揭示了使用具有芳香性“尾基团”的3-氨基内酰胺化合物预防或治疗炎症性疾病的方法。本文描述了由式(I)和(I')定义的化合物以及这些化合物的医学用途。
• [EN] PYRIMIDINES WITH TIE2 (TEK) ACTIVITY<br/>[FR] PYRIMIDINES A ACTIVITE TIE2 (TEK)
  申请人：ASTRAZENECA AB

  公开号：WO2005060970A1

  公开（公告）日：2005-07-07

  The invention relates to a compound of the Formula (I). or salt thereof wherein R1, R2, R3, R4, R5, R6, A, B, L, n and m are as defined in the description. The invention also relates to pharmaceutical compositions of said compounds, the use of said compounds as medicaments and in the production of an anti-angiogenic effect in a warm-blooded animal. The invention also relates to processes for the preparation of said compounds.

  该发明涉及公式(I)的化合物或其盐，其中R1、R2、R3、R4、R5、R6、A、B、L、n和m如描述中所定义。该发明还涉及所述化合物的药物组合物，所述化合物作为药物以及在温血动物中产生抗血管生成效应的用途。该发明还涉及所述化合物的制备方法。