5-氧代-1-苯基吡咯烷-3-羧酸甲酯 | 64320-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 5-氧代-1-苯基吡咯烷-3-羧酸甲酯
• 英文名称: methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
• CAS: 64320-92-9
• 化学式: C₁₂H₁₃NO₃
• mdl: MFCD00490623
• 分子量: 219.24
• InChiKey: OIAHHVOKOCPNJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
Synonyms: Methyl 1-phenyl-2-pyrrolidinone-4-carboxylate

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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: Methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CAS number: 64320-92-9

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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: C12H13NO3
Molecular weight: 219.2

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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：

  5-氧代-1-苯基吡咯烷-3-羧酸甲酯 在 盐酸 、 一水合肼 作用下， 以 水 、 异丙醇 为溶剂， 反应 4.0h， 生成 5-oxo-N'-(4-oxo-1,4-dihydronaphthalen-1-ylidene)-1-phenylpyrrolidine-3-carbohydrazide
  参考文献：
  名称：

  5-氧代-1-苯基吡咯烷-3-碳酰肼与1,4-萘醌衍生物的反应及所得产物的性质

  摘要：

  N '-（4-Oxo-1,4-二氢萘-1-亚甲基）-1-苯基-5-氧吡咯烷-3-碳酰肼和N '-（3-甲基-4-氧代-1,4-二氢萘-1 -亚苯基）-1-苯基-5-氧吡咯烷-3-碳酰肼通过5-氧代-1-苯基吡咯烷-3-碳酰肼与1,4-萘醌或2-甲基-1,4-萘醌的反应合成。使用碘乙烷获得上述产物的烷基化类似物。5-氧代-1-苯基吡咯烷-3-碳酰肼与2,3-二氯-1,4-萘醌的相互作用随后形成N '-（3-氯-1,4-二氧代-1,4-二氢萘-2-基）-1-苯基-5-氧吡咯烷-3-碳酰肼。所有这些化合物的特征均使用1 H，1313 C NMR，IR和质谱。测试了一些新化合物的抗微生物和抗真菌活性。

  DOI：

  10.1007/s11164-011-0306-y
• 作为产物：
  描述：

  衣康酸 在 氯化亚砜 作用下， 以 甲醇 、 水 为溶剂， 反应 31.75h， 生成 5-氧代-1-苯基吡咯烷-3-羧酸甲酯
  参考文献：
  名称：

  1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS

  摘要：

  本发明涉及新化合物和制备去泛素化酶（DUBs）抑制剂的方法。具体而言，本发明涉及抑制泛素C-末端水解酶30或泛素特异性肽酶30（USP30）。这些新化合物的化学式为（I）：（化学式（I）），或其药学上可接受的盐，其中：R1a，R1b，R1c，R1d，R1e和R1f分别独立地代表氢，可选择地取代的C1-C6烷基或可选择地取代的C3-C4环烷基，或者R1b和R1c共同形成一个可选择地取代的C3-C6环烷基环，或者R1d和R1e共同形成一个可选择地取代的C3-C6环烷基环；R2代表氢或可选择地取代的C1-C6烷基；A代表一个可选择地进一步取代的5到10个成员的单环或双环杂环芳基，杂环烷基或芳基环；L代表一个共价键或连接物；B代表一个可选择地取代的3到10个成员的单环或双环杂环烷基，杂环芳基，环烷基或芳基环；当-A-L-B位于位置x时，通过A的一个碳环原子连接到A，且：A不能是三唑吡啶基，三唑吡啉基，咪唑三嗪基，咪唑吡嗪基或吡咯嘧啶基；或者B不能被苯氧基取代；或者当L是氧原子时，B不能是环戊基。

  公开号：

  US20200331888A1

文献信息

• [EN] INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] DÉRIVÉS D'INDOLAMIDE ET COMPOSÉS ASSOCIÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DES MALADIES NEURODÉGÉNÉRATIVES
  申请人：UNIV LEUVEN KATH

  公开号：WO2010142801A1

  公开（公告）日：2010-12-16

  This invention provides novel compounds and the novel compounds for use as a medicine, more in particular for the prevention or treatment of neurodegenerative disorders, more specifically certain neurological disorders, such as disorders collectively known as tauopathies, and disorders characterised by cytotoxic α-synuclein amyloidogenesis. The present invention also relates to the use of said novel compounds for the manufacture of medicaments useful for treating such neurodegenerative disorders. The present invention further relates to pharmaceutical compositions including said novel compounds and to methods for the preparation of said novel compounds.

  本发明提供了新型化合物，以及这些新型化合物作为药物的使用，特别是用于预防或治疗神经退行性疾病，更具体地是一些神经系统疾病，例如统称为tauopathies的疾病，以及以细胞毒性α-突触核蛋白淀粉样蛋白生成为特征的疾病。本发明还涉及将所述新型化合物用于制造用于治疗此类神经退行性疾病的药物。本发明还涉及包括所述新型化合物的药物组合物，以及制备所述新型化合物的方法。
• Cosmetic compositions comprising photostabilized dibenzoylmethane compounds and 2-pyrrolidinone-4- carboxy esters
  申请人：Richard Hervé

  公开号：US20100183529A1

  公开（公告）日：2010-07-22

  Photostable cosmetic compositions contain, formulated into a cosmetically acceptable vehicle, at least one UV-screening system that includes: (a) at least one dibenzoylmethane compound, and (b) at least one 2-pyrrolidinone-4-carboxy ester compound having the following formula (I): in which: R 1 is a linear or branched C 1 -C 20 alkyl radical, and R 2 is a linear or branched C 1 -C 20 alkyl radical which optionally includes a C 5 -C 6 ring member, the phenyl radical, the benzyl radical or the phenethyl radical.

  光稳定的化妆品组合物包含至少一种紫外线屏障系统，配制成化妆上可接受的载体，其中包括： (a) 至少一种二苯甲酮化合物，以及 (b) 具有以下式(I)的至少一种2-吡咯烷酮-4-羧酯化合物： 其中： R1是线性或支链的C1-C20烷基基团，以及 R2是线性或支链的C1-C20烷基基团，可选地包括一个C5-C6环成员，苯基基团，苄基基团或苯乙基基团。
• Efficient novel eutectic-mixture-mediated synthesis of benzoxazole-linked pyrrolidin-2-one heterocycles
  作者：Yassine Riadi、Oussama Ouerghi、Mohammed H. Geesi、Abdellah Kaiba、El Hassane Anouar、Philippe Guionneau

  DOI：10.1016/j.molliq.2020.115011

  日期：2021.2

  infrared spectroscopy were employed to investigate the structure of the ionic liquid and characterize the DES, respectively. This method exhibited key advantages of high productivity, a short reaction time, and simple processing. Moreover, this DES was easily separated from reaction mixtures and can be recycled for multiple reactions.

  在这项研究中，在新设计的无金属深共熔溶剂（DES）的存在下，采用取代的苄胺和2-氨基苯酚，通过生态高效策略合成了新的苯并恶唑连接的吡咯烷酮杂环化合物。通过使用尿素和合成的甘氨酸衍生的离子液体的低共熔混合物来制备该DES。X射线衍射和红外光谱法分别用于研究离子液体的结构和表征DES。 该方法显示出高生产率，短反应时间和简单加工的主要优点。此外，该DES易于从反应混合物中分离出来，并可循环用于多个反应。
• COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES
  申请人：Richard Herve

  公开号：US20140294743A1

  公开（公告）日：2014-10-02

  The present invention relates to a cosmetic and/or dermatological composition comprising in a physiologically acceptable medium at least one merocyanine derivative of formula (1) or (2) and/or its E,E-, E,Z- or Z,Z-geometrical isomer forms: comprising specific polar groups consisting of hydroxyl- and ether-functionalities. Another object of the present invention relates to a cosmetic process for controlling and/or improving the darkening of the skin under exposure to UV radiation and the homogeneity of the colour of the complexion which comprises the application onto the skin of a cosmetic composition as above defined. Another object of the present invention relates to a cosmetic process for protecting the keratinic materials and particularly the skin against photo-ageing which comprises the application onto the keratinic material of a cosmetic composition as above defined.

  本发明涉及一种化妆品和/或皮肤科学组合物，其在生理上可接受的介质中包含至少一种公式（1）或（2）的merocyanine衍生物及/或其E，E-，E，Z-或Z，Z-几何异构体形式：包括由羟基和醚功能团组成的特定极性基团。本发明的另一个目的涉及一种化妆过程，用于控制和/或改善皮肤在紫外线照射下的变黑和肤色均匀性，包括在皮肤上涂抹上述定义的化妆品组合物。本发明的另一个目的涉及一种化妆过程，用于保护角质素材料，特别是皮肤免受光老化的影响，包括在角质素材料上涂抹上述定义的化妆品组合物。
• Cosmetic compositions comprising 4-carboxy-2-pyrrolidinone esters and triazine lipophilic UV-screening agents
  申请人：Richard Hervé

  公开号：US20100183530A1

  公开（公告）日：2010-07-22

  UV-screening compositions, formulated into a cosmetically acceptable medium, contain at least one ester solvent derived from 4-carboxy-2-pyrrolidinone, of formula (I) below: in which: R 1 is a linear or branched C 1 -C 20 alkyl radical, R 2 is a linear or branched C 1 -C 20 alkyl radical that may contain a C 5 -C 6 ring member, the phenyl radical, the benzyl radical or the phenethyl radical, and at least one triazine-type lipophilic UV-screening agent.

  防紫外线配方，配制成化妆品可接受的介质，含有至少一种由4-羧基-2-吡咯烷酮衍生的酯溶剂，其化学式（I）如下：其中：R1是线性或支链C1-C20烷基基团，R2是线性或支链C1-C20烷基基团，可能包含C5-C6环成员，苯基基团，苄基基团或苯乙基基团，以及至少一种三嗪型亲脂性紫外线筛选剂。