N,N-二乙基甘氨酸甲酯 | 30280-35-4

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 甘氨酸类衍生物
• 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: N,N-二乙基甘氨酸甲酯
• 英文名称: N,N-diethylglycine methyl ester
• 英文别名: methyl diethylamino-acetate；Diethylaminoessigsaeuremethylester；methyl 2-(diethylamino)acetate
• CAS: 30280-35-4
• 化学式: C₇H₁₅NO₂
• mdl: MFCD00059368
• 分子量: 145.202
• InChiKey: YLZLHVWLTRZOJH-UHFFFAOYSA-N

物化性质

• 沸点：
  86 °C / 57mmHg
• 密度：
  0.93
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，也未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  3
• 海关编码：
  2922499990
• 储存条件：
  请将贮藏器保持密封，并存放在阴凉、干燥处。同时，确保工作环境具有良好的通风或排气设施。

SDS

N,N-Diethylglycine Methyl Ester Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: N,N-Diethylglycine Methyl Ester

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 3
Flammable liquids
HEALTH HAZARDS Not classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Flammable liquid and vapour
Precautionary statements:
[Prevention] Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Keep container tightly closed.
Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
measures against ignition by the static discharge and the spark.
Wear protective gloves/eye protection/face protection.
[Response] IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
[Storage] Store in a well-ventilated place. Keep cool.
Dispose of contents/container through a waste management company authorized by
[Disposal]
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: N,N-Diethylglycine Methyl Ester
Percent: >98.0%(GC)(T)
CAS Number: 30280-35-4
Chemical Formula: C7H15NO2

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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,N-Diethylglycine Methyl Ester

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. 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, carbon dioxide.
media:
Unsuitable extinguishing Water (It may scatter and spread fire.)
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: Keep containers cool by
spraying with water. Eliminate all ignition sources 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 Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
up: Adhered or collected material should be promptly disposed of, in accordance with
appropriate laws and regulations.
Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
hazards: case of a fire. Use spark-proof tools and explosion-proof equipment.

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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 generation of vapour or mist. Keep away from heat/sparks/open flame/hot
surfaces. -No smoking. Take measures to prevent the build up of electrostatic
charge. Use explosion-proof equipment. Wash hands and face thoroughly after
handling.
Use a closed system if possible. Use a ventilation, local exhaust if vapour 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 an explosion-poof refregerator.
Store under inert gas.
Protect from moisture.
Store away from incompatible materials such as oxidizing agents.
Heat-sensitive, Moisture-sensitive
Comply with laws.
Packaging material:

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
N,N-Diethylglycine Methyl Ester

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Personal protective equipment
Respiratory protection: Vapor 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): Liquid
Clear
Form:
Colour: Colorless - Yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: 86°C/7.6kPa
No data available
Flash point:
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: 0.93
Solubility(ies):
[Water] No data available
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Conditions to avoid: Spark, Open flame, Static discharge
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
No data available
NTP =
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
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
N,N-Diethylglycine Methyl Ester

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Section 12. ECOLOGICAL INFORMATION
Henry's Law No data available
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 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: 3: Flammable liquid.
1993
UN-No:
Proper shipping name: Flammable liquid, n.o.s.
Packing group: III

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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,N-二乙基甘氨酸甲酯 在 肼 作用下， 以 乙醇 为溶剂， 生成 2-(二乙氨基)乙酰肼
  参考文献：
  名称：

  Indazole compounds, compositions thereof and methods of treatment therewith

  摘要：

  这项发明通常涉及使用吲唑化合物来治疗或预防与蛋白激酶相关的疾病，包括酪氨酸激酶，诸如增殖性疾病、炎症性疾病、异常血管生成及其相关疾病、动脉硬化、黄斑变性、糖尿病、肥胖、疼痛等。这些方法包括向有需要的患者施用有效量的吲唑化合物，以抑制、调节或控制酪氨酸激酶信号转导。本文中提供了一种新型的吲唑化合物或其药用可接受的盐。

  公开号：

  US20050009876A1
• 作为产物：
  描述：

  Diethyl-methylammonium-essigsaeurebetain 生成 N,N-二乙基甘氨酸甲酯
  参考文献：
  名称：

  Willstaetter, Chemische Berichte, 1902, vol. 35, p. 602

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-氨基-2-乙基丁酸甲酯 在 sodium hydroxide 、 N,N-二乙基甘氨酸甲酯 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 480.0h， 生成 methyl trifluoroacetyl-diethylglycyl-diethylglycyl-diethylglycinate
  参考文献：
  名称：

  Helicalversus Planar Conformation of Homooligopeptides Prepared from Diethylglycine (=2-Amino-2-ethylbutanoic Acid)

  摘要：

  Homooligopeptides containing alpha,alpha-diethylgycine (= 2-amino-2-ethylbutanoic acid), were synthesized by conventional solution methods. An ethyl or methyl ester was used as protecting group at the C-terminus and a trifluoroacetyl group as protecting group at the N-terminus of the peptides. The conformations of such tri-, penta-, and hexapeptides in the solid stare were studied using X-ray crystallographic analysis, and were shown to be a bent planar CS-conformation in the case of tripeptide 8a, and a 3(10)-helical structure in the case of pentapeptide 10 and hexapeptide 11. IR and H-1-NMR spectra revealed that the dominant conformation of hexapeptide 11 in CDCl3 solution was not the 3(10)-helical structure shown in the solid state, but a fully planar C5 structure.

  DOI：

  10.1002/(sici)1522-2675(19990407)82:4<494::aid-hlca494>3.0.co;2-a

文献信息

• Efficient oxidative N -dealkylative addition of trialkylamines to dimethyl acetylenedicarboxylate using BrCCl 3 as the terminal oxidant
  作者：Fangnan Liu、Zhiguo Zhang、Zongbi Bao、Huabin Xing、Yiwen Yang、Qilong Ren

  DOI：10.1016/j.tetlet.2017.05.073

  日期：2017.7

  Herein we present a continuous improvement of visible-light mediated N-dealkylative addition of tertiary amines to dimethyl acetylenedicarboxylates (DMAD) using alkyl halogenides as external oxidants together with base additives. This method is highlighted by excellent tolerance with various tertiary amines and good to excellent yields in short reaction time under mild conditions.

  本文中，我们介绍了使用烷基卤化物作为外部氧化剂和基础添加剂，将可见光介导的叔胺N-去烷基化叔胺连续添加到乙炔二羧酸二甲酯（DMAD）中的方法。该方法的突出特点是对各种叔胺具有出色的耐受性，并且在温和的条件下，在较短的反应时间内即可获得良好的优异收率。
• Visible-Light-Mediated Dealkylative Coupling of Trialkylamines with Dialkyl Acetylenedicarboxylates
  作者：Zhiguo Zhang、Fangnan Liu、Zongbi Bao、Baogen Su、Huabin Xing、Qiwei Yang、Yiwen Yang、Qilong Ren

  DOI：10.1055/s-0036-1588704

  日期：——

  A dealkylative addition of trialkylamines to dialkyl acetylenedicarboxylates with eosin Y as a metal-free catalyst and molecular oxygen as the terminal oxidant was developed. This visible-light-mediated organocatalytic protocol is compatible with a wide variety of trialkylamines, giving the corresponding adducts in moderate to good yields.

  开发了以伊红 Y 作为无金属催化剂和分子氧作为末端氧化剂的三烷基胺与乙炔二羧酸二烷基酯的脱烷基加成反应。这种可见光介导的有机催化方案与多种三烷基胺兼容，以中等至良好的产率提供相应的加合物。
• Methods for treating an inflammatory condition or inhibiting JNK
  申请人：——

  公开号：US20040127536A1

  公开（公告）日：2004-07-01

  This invention is generally directed to Indazole Derivatives having the following structure: 1 or pharmaceutically acceptable salt thereof, wherein R 1 , R 2 and A are as defined herein. Such compounds have utility in the treatment of a wide range of diseases and disorders that are responsive to JNK inhibition, such as an inflammatory disease or disorder. Thus, methods of treating such diseases and disorders are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  这项发明通常涉及吲唑衍生物，具有以下结构： 1 或药用可接受的盐，其中R 1 ，R 2 和A如本文所述定义。这类化合物在治疗对JNK抑制剂有响应的广泛疾病和障碍，如炎症性疾病或障碍中具有用途。因此，还披露了治疗这些疾病和障碍的方法，以及包含一个或多个上述化合物的药物组合物。
• Indazole derivatives as JNK inhibitors and compositions and methods related thereto
  申请人：——

  公开号：US20020103229A1

  公开（公告）日：2002-08-01

  Compounds having activity as selective inhibitors of JNK are disclosed. The compounds of this invention are indazole derivatives having the following structure: 1 wherein R 1 , R 2 and A are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to JNK inhibition. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明公开了作为JNK选择性抑制剂的化合物。本发明的化合物是吲唑衍生物，具有以下结构： 1 其中R 1 ，R 2 和A如本文所述定义。此类化合物在治疗对JNK抑制产生响应的广泛病症方面具有用途。因此，还公开了治疗此类病症的方法，以及包含一个或多个上述化合物的药物组合物。
• 一种盐酸利多卡因的制备方法
  申请人：浙江汇能生物股份有限公司

  公开号：CN105294477B

  公开（公告）日：2018-01-19

  本发明提供了一种盐酸利多卡因的制备方法，属于麻醉剂合成技术领域。所述制备方法采用2.6‑二甲酚为原料，采用Pd/C为主催化剂，2,6‑二甲基环己酮为助催化剂，高温下用氨水进行液相胺化得到中间体2,6‑二甲基苯胺；再采用甲醇钠、2,6‑二甲基苯胺和N,N‑二乙氨基乙酸甲酯为原料，于90‑95℃下反应，边反应边蒸馏去除甲醇直至其无甲醇蒸出后，继续反应30min，冷却至室温，加入二氯乙烷，经水洗、静置分层后，有机层即为利多卡因碱的二氯乙烷溶液；向多卡因碱的二氯乙烷溶液中加入盐酸，再以氯化氢调节PH为3.5‑4，加入活性炭回流20‑40min，过滤，滤液经浓缩，冷却结晶，干燥，得盐酸利多卡因。本发明所述的盐酸利多卡因合成工艺简单，产品纯度高达99%以上，总收率高达84%以上。

表征谱图