N-乙基琥珀酰亚胺 | 2314-78-5

• 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: N-乙基琥珀酰亚胺
• 英文名称: N-ethylsuccinimide
• 英文别名: 1-ethylpyrrolidine-2,5-dione；1-ethyl-2,5-pyrrolidinedione；N-ethylmaleimide
• CAS: 2314-78-5
• 化学式: C₆H₉NO₂
• mdl: MFCD00059748
• 分子量: 127.143
• InChiKey: GHAZCVNUKKZTLG-UHFFFAOYSA-N

物化性质

• 熔点：
  28°C
• 沸点：
  235.91°C (rough estimate)
• 密度：
  1.1931 (rough estimate)
• 闪点：
  28 °C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• LogP：
  -0.420 (est)
• 保留指数：
  1836

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2925190090
• 储存条件：
  存储条件：0-10°C，需置于惰性气体中，避免与空气接触并防止加热。

SDS

N-Ethylsuccinimide Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: N-Ethylsuccinimide

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: N-Ethylsuccinimide
Percent: >98.0%(GC)
CAS Number: 2314-78-5
Chemical Formula: C6H9NO2

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
N-Ethylsuccinimide

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a refrigerator.
Store under inert gas.
Store away from incompatible materials such as oxidizing agents.
Heat-sensitive, Air-sensitive
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Lump
Form:
N-Ethylsuccinimide

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Colour: White - Almost white
Odour: No data available
pH: No data available
Melting point/freezing point:28°C (Freezing point)
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
No data available
Crustacea:
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
No data available
Henry's Law
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed
N-Ethylsuccinimide

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-乙基琥珀酰亚胺 在 5% active carbon-supported ruthenium 、 氢气 作用下， 以 水 为溶剂， 150.0 ℃ 、15.0 MPa 条件下， 反应 6.0h， 生成 N-乙基-2-吡咯烷酮
  参考文献：
  名称：

  扩展化学产品树：从生物酸生产N-乙烯基-2-吡咯烷酮的新型价值链

  摘要：

  从生物平台化学物质可持续生产聚合物显示出减少化学工业对化石资源的依赖的巨大希望。在这种情况下，我们提出了一种新的两步法，从二羧酸（例如琥珀酸和衣康酸）到N-乙烯基-2-吡咯烷酮单体。首先，使用少量的水作为溶剂与固体催化剂一起使生物酸与乙醇胺和氢气反应。为了有效转化，最佳催化剂（碳载钌）必须具有活化H 2以及（酰亚胺）C O键的能力。获得的产品，N-（2-羟乙基）-2-吡咯烷酮随后在简单的钠掺杂二氧化硅上以连续气相脱水的方式转化，具有超过96mol％的优异选择性，并且水是唯一的副产物。在两个工艺步骤中最终产品的收率为≥72mol％，并且由于采用了非均相催化而产生的浪费极少，因此，无论从商业角度还是从绿色化学方面来说，拟议的方法都有望实现。

  DOI：

  10.1039/c9gc01488h
• 作为产物：
  描述：

  N-乙基-2-吡咯烷酮 在 4C₂₄H₂₀P⁽¹⁺⁾*W₁₀O₃₂^(4-) 作用下， 以 乙腈 为溶剂， 以72%的产率得到N-乙基琥珀酰亚胺
  参考文献：
  名称：

  使用高度耐用的十钨酸盐四苯基鏻盐将酰胺光催化有氧 α-氧化成酰亚胺

  摘要：

  十钨酸盐是一种有效的氢原子转移（HAT）光催化剂，但在使用典型的四正丁基铵盐时面临降解问题。在此，我们采用四苯基鏻作为抗衡阳离子来产生高度耐用且高效的HAT光催化剂，使用O 2作为氧化剂能够将酰胺α-氧化成其相应的酰亚胺。

  DOI：

  10.1039/d4cc01016g
• 作为试剂：
  描述：

  右旋奎宁酸 、 对氨基苯甲酸 在 N-乙基琥珀酰亚胺 、 N,N'-二环己基碳二亚胺 作用下， 以 乙酸乙酯 、 甲醇 为溶剂， 生成
  参考文献：
  名称：

  CN115843803

  摘要：

  公开号：

文献信息

• Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application
  作者：Bo Han、Jiong Zhang、Haijun Jiao、Lipeng Wu

  DOI：10.1016/s1872-2067(21)63853-6

  日期：2021.11

  diverse amines. Various readily reducible functional groups, such as esters, alkynes, and alkenes, were well tolerated. Furthermore, the methodology was extended to the synthesis of bio- and drug-derived amines. Detailed mechanistic studies revealed a reaction pathway entailing aldehyde and amido complex formation via an unusual C–N bond cleavage-reformation process, followed by C–O bond cleavage.

  开发用于选择性合成胺的温和高效的催化方法是一个长期的研究目标。在这方面，催化脱氧酰胺还原已被证明是有前途但具有挑战性的，因为这种方法需要选择性的 C-O 键裂解。在此，我们报告了伯、仲和叔酰胺在室温下由地球丰富的金属催化剂 Zr-H 催化的选择性硼氢化反应，以获取不同的胺。各种易于还原的官能团，如酯、炔烃和烯烃，都具有良好的耐受性。此外，该方法还扩展到生物和药物衍生胺的合成。详细的机理研究揭示了一个反应途径，通过一个不寻常的 C-N 键断裂-重整过程形成醛和酰胺复合物，然后是 C-O 键断裂。
• TUBULYSIN CONJUGATE FOR USE IN TREATING CANCER
  申请人：ENDOCYTE, INC.

  公开号：US20170348376A1

  公开（公告）日：2017-12-07

  The invention described herein pertains to drug delivery conjugates for targeted therapy. The invention described herein relates to methods of treating folate receptor-expressing cancers with a folate-tubulysin conjugate. The invention described herein also relates to methods of treating folate-expressing cancers with a folate tubulysin conjugate in patients where stable disease results after treatment with the folate-tubulysin conjugate.

  本发明涉及用于靶向治疗的药物传递共轭物。本发明涉及使用叶酸-管芽霉素共轭物治疗表达叶酸受体的癌症的方法。本发明还涉及在使用叶酸-管芽霉素共轭物治疗后导致稳定疾病的患者中治疗表达叶酸的癌症的方法。
• 5-HT RECEPTOR MODULATORS
  申请人：Kapadnis Prashant Bhimrao

  公开号：US20130053372A1

  公开（公告）日：2013-02-28

  The invention relates to compounds of formula (I), useful for treating disorders mediated by the 5-hydroxytryptamine (serotonin) receptor IB (5-HT1B), e.g. vascular disorders, cancer and CNS disorders. The invention also provides methods of treating such disorders, and compounds and compositions etc. for their treatment.

  本发明涉及式(I)化合物，用于治疗由5-羟基色胺（血清素）受体IB（5-HT1B）介导的疾病，例如血管疾病、癌症和CNS疾病。本发明还提供了治疗这些疾病的方法，以及用于治疗的化合物和组合物等。
• ACETYL CoA CARBOXYLASE INHIBITORS
  申请人：Chang Edcon

  公开号：US20090253725A1

  公开（公告）日：2009-10-08

  The present invention relates to acetyl coenzyme-A carboxylase (“ACC”) inhibiting compounds of the formula wherein the variables are as defined herein. In particular, the present invention relates to ACC1 and/or ACC2 inhibitors, compositions of matter, kits and articles of manufacture comprising these compounds, methods for inhibiting ACC1 and/or ACC2, and methods of making the inhibitors.

  本发明涉及乙酰辅酶A羧化酶（“ACC”）抑制化合物，其化学式如下 其中变量如本文所述定义。特别是，本发明涉及ACC1和/或ACC2抑制剂，包含这些化合物的物质、套件和制品，抑制ACC1和/或ACC2的方法，以及制造抑制剂的方法。
• CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER
  申请人：Pierre Fabre Medicament

  公开号：US20170112943A1

  公开（公告）日：2017-04-27

  The present invention relates to an antibody-drug-conjugate or pharmaceutical composition comprising the same. From one aspect, the invention relates to an antibody-drug-conjugate (ADC) comprising an antibody consisting of the Trastuzumab or a biosimilar thereof, said antibody being conjugated to at least one drug consisting of a monomethyl auristatin F derivative. The invention also comprises method of treatment of cancer comprising administering to the subject an effective amount of said antibody-drug-conjugate or composition comprising the same.

  本发明涉及一种抗体药物偶联物或包含该偶联物的药物组合物。从一方面来说，该发明涉及一种抗体药物偶联物（ADC），包括一种由曲妥珠单抗或其生物类似物组成的抗体，所述抗体与至少一种由单甲基奥瑞他汀F衍生物组成的药物偶联。该发明还包括一种治疗癌症的方法，包括向受试者施用有效量的所述抗体药物偶联物或包含该偶联物的组合物。

表征谱图