N-BOC-4-氧代-3-吡咯烷甲酸乙酯 | 146256-98-6

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - BOC-氨基酸
• 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: N-BOC-4-氧代-3-吡咯烷甲酸乙酯
• 中文别名: 4-氧吡咯烷-1,3-二甲酸1-叔丁基3-乙酯；N-叔丁氧羰基-4-氧代-3-吡咯烷甲酸乙酯；N-Boc-4-氧代-3-吡咯烷甲酸乙酯
• 英文名称: 1-tert-butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
• 英文别名: 4-oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester；O1-tert-butyl O3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate；1-O-tert-butyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
• CAS: 146256-98-6
• 化学式: C₁₂H₁₉NO₅
• 分子量: 257.287
• InChiKey: CWRFSVAKVCSOPI-UHFFFAOYSA-N

物化性质

• 熔点：
  54.0 to 59.0 °C
• 沸点：
  120°C/0.4mmHg(lit.)
• 密度：
  1.182

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S36
• 危险类别码：
  R36/38
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存储温度：0-10°C；存放于惰性气体中；避免潮湿（防止分解），勿加热。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
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: 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
CAS number: 146256-98-6

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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: C12H19NO5
Molecular weight: 257.3

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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

制备方法与用途

N-BOC-4-氧代-3-吡咯烷甲酸乙酯是一种用于研究的化合物。

反应信息

• 作为反应物：
  描述：

  N-BOC-4-氧代-3-吡咯烷甲酸乙酯 以 乙醇 、 甲苯 为溶剂， 生成 1-叔丁氧碳基-3-吡咯烷酮
  参考文献：
  名称：

  一种甲苯磺酸妥舒沙星中间体的合成方法

  摘要：

  本发明公开了一种甲苯磺酸妥舒沙星中间体及其合成方法，包括以下步骤：甘氨酸乙酯或其盐酸盐与二碳酸二叔丁酯反应，获得N‑叔丁氧羰基‑甘氨酸乙酯；N‑叔丁氧羰基‑甘氨酸乙酯与丙烯酸乙酯反应，获得N‑叔丁氧羰基‑4‑氧代‑3‑吡咯烷甲酸乙酯；N‑叔丁氧羰基‑4‑氧代‑3‑吡咯烷甲酸乙酯发生脱酯反应，获得3‑吡咯烷酮盐酸盐；3‑吡咯烷酮盐酸盐与二碳酸二叔丁酯反应，获得N‑叔丁氧羰基‑3‑吡咯烷酮；N‑叔丁氧羰基‑3‑吡咯烷酮与胺源反应，获得N‑叔丁氧羰基‑3‑氨基吡咯烷；N‑叔丁氧羰基‑3‑氨基吡咯烷发生脱保护基反应，获得甲苯磺酸妥舒沙星中间体。本发明的甲苯磺酸妥舒沙星中间体的合成方法，制备简短、操作简便，中间体质量易纯化，适用于大规模生产。

  公开号：

  CN115974746A
• 作为产物：
  描述：

  2-氮杂丁烷-1,4-二羧酸二乙酯 在 乙醇 、 sodium 、 三乙胺 作用下， 以 乙醇 为溶剂， 生成 N-BOC-4-氧代-3-吡咯烷甲酸乙酯
  参考文献：
  名称：

  ANTI-ANGIOGENESIS COMPOUND, INTERMEDIATE AND USE THEREOF

  摘要：

  本发明揭示了一种以化学式I表示的抗异常血管生成增殖化合物、其用途和中间体。该化合物对异常血管生成的增殖具有良好效果，其活性是通过抑制VEGFR2而产生的。该化合物可用于治疗由血管生成和蛋白激酶（如VEGFR2、FGFR2等）的异常引起的疾病，如湿性黄斑变性、炎症、恶性肿瘤等。

  公开号：

  US20160075708A1

文献信息

• [EN] ARGINASE INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS D'ARGINASE ET PROCÉDÉS D'UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2019177873A1

  公开（公告）日：2019-09-19

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof. The compounds of Formula I act as arginase inhibitors and can be useful in preventing, treating or acting as a remedial agent for arginase-related diseases.

  本文描述了化合物I的结构或其药用盐。化合物I作为精氨酸酶抑制剂，可用于预防、治疗或作为精氨酸酶相关疾病的治疗剂。
• OXAZOLIDINONE ANTIBIOTICS
  申请人：Bur Daniel

  公开号：US20110039823A1

  公开（公告）日：2011-02-17

  The invention relates to compounds of formula (I) wherein U, V, W, X, R1, R2, R3, R4, R5, R6, A, B, D, E, G, m, and n are as defined in the description, to pharmaceutically acceptable salts of such compounds for use in the manufacture of a medicament for the prevention or treatment of a bacterial infection. Certain compounds of formula (I) are new and are also part of this invention.

  本发明涉及式(I)的化合物，其中U、V、W、X、R1、R2、R3、R4、R5、R6、A、B、D、E、G、m和n的定义如说明书中所述，还涉及用于制造预防或治疗细菌感染的药物的上述化合物的药用可接受盐。式(I)中的某些化合物是新颖的，也是本发明的一部分。
• オートタキシン阻害活性を有する縮合９員環誘導体
  申请人：国立大学法人 東京大学

  公开号：JP2016193887A

  公开（公告）日：2016-11-17

  【課題】新規なオートタキシン阻害作用を有する化合物を提供する。【解決手段】（式中、各記号は本明細書中で定義した通りである）で示される化合物。【選択図】なし

  提供具有新型自动抑制作用的化合物。所述化合物如下所示（其中，每个符号均按本说明书中的定义）。不包括任何图。
• [EN] PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PYRROLO[2,3-B]PYRIDINE CDK9 KINASE
  申请人：ABBVIE INC

  公开号：WO2014139328A1

  公开（公告）日：2014-09-18

  Disclosed are compounds of Formula (IIa), wherein R1, R2, R3A, R3B, R3C, R3D, R3E, and R4 are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds may be used as agents in the treatment of diseases, including cancer. Also provided are pharmaceutical compositions comprising one or more compounds of Formula (IIa).

  公开的是Formula (IIa)的化合物，其中R1、R2、R3A、R3B、R3C、R3D、R3E和R4如规范中所定义，并且其药用盐。这些化合物可用作治疗疾病，包括癌症的药物。还提供了包含一个或多个Formula (IIa)化合物的药物组合物。
• Substituted Macrocyclic Compounds and Related Methods of Treatment
  申请人：Alkermes, Inc.

  公开号：US20210155636A1

  公开（公告）日：2021-05-27

  The present invention provides compounds useful for the treatment of narcolepsy or cataplexy in a subject in need thereof. Related pharmaceutical compositions and methods are also provided herein.

  本发明提供了用于治疗需要治疗的患者的嗜睡病或猝倒的化合物。相关的药物组合物和方法也在此提供。