吗啉-4-羧酸乙酯 | 6976-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 吗啉-4-羧酸乙酯
• 英文名称: morpholine-4-carboxylic acid ethyl ester
• 英文别名: N-ethoxycarbonylmorpholine；Ethyl morpholine-4-carboxylate
• CAS: 6976-49-4
• 化学式: C₇H₁₃NO₃
• mdl: MFCD00023349
• 分子量: 159.185
• InChiKey: RTBBWCJKGBZVGL-UHFFFAOYSA-N

物化性质

• 沸点：
  103 °C(Press: 3 Torr)
• 密度：
  1.091 at 25 °C
• 闪点：
  107℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• WGK Germany：
  3
• 储存条件：
  室温

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Ethyl morpholine-4-carboxylate
CAS-No. : 6976-49-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 4)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
S-phrase(s) none
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : Morpholine-4-carboxylic acid ethyl ester
Formula : C7H13NO3
Molecular Weight : 159,18 g/mol
Component Concentration
ETHYL MORPHOLINOCARBOXYLATE
CAS-No. 6976-49-4 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point 107,2 °C
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,091 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 0,144
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin
May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  吗啉-4-羧酸乙酯 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 生成 4-吗啉碳酰氯
  参考文献：
  名称：

  合成一些N-烷基取代的脲衍生物作为抗菌剂和抗真菌剂

  摘要：

  合成了一系列的N-烷基取代的脲衍生物，并对其体外抗菌和抗真菌活性进行了评估。带有吗啉部分（3a-3k）的N-烷基取代的尿素衍生物比带有二乙胺部分（2a-2f）的N-烷基取代的尿素衍生物具有更好的活性。在苯环的邻位（3c）和对位（3b）位置具有氟取代基的化合物表现出对革兰氏阳性和革兰氏阴性细菌以及真菌的有效抗菌活性。

  DOI：

  10.1016/j.ejmech.2010.03.027
• 作为产物：
  描述：

  ethyl 4-methyl-5,5-dimorpholin-4-yl-4H-triazole-1-carboxylate 以68%的产率得到
  参考文献：
  名称：

  FIORAVANTI S.; LORETO M. A.; PELLACANI L.; TARDELLA P. A., HETEROCYCLES, 25,(1987) NPEC. ISSUE, 433-436

  摘要：

  DOI：

文献信息

• Kinase inhibitor compounds
  申请人：Liang Congxin

  公开号：US20090076005A1

  公开（公告）日：2009-03-19

  The invention relates to compounds, compositions comprising the compounds, and methods of using the compounds and compound compositions. The compounds, compositions, and methods described herein can be used for the therapeutic modulation of kinase-mediated processes, and treatment of disease and disease symptoms, particularly those mediated by certain kinase enzymes.

  这项发明涉及化合物、包含这些化合物的组合物，以及使用这些化合物和化合物组合物的方法。本文描述的化合物、组合物和方法可用于治疗激酶介导的过程，并治疗疾病和疾病症状，特别是那些由特定激酶酶介导的症状。
• [EN] FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY<br/>[FR] DÉRIVÉS D'IMIDAZOLE TRICYCLIQUE CONDENSÉ COMME MODULATEURS DE L'ACTIVITÉ DU TNF
  申请人：UCB BIOPHARMA SPRL

  公开号：WO2015086526A1

  公开（公告）日：2015-06-18

  A series of fused tricyclic imidazole derivatives, in particular dihydro-1H-cyclopenta[4,5]imidazo[1,2-a]pyridine derivatives, and analogues thereof, being potent modulators of human TNFα activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorders; and oncological disorders.

  一系列融合的三环咪唑衍生物，特别是二氢-1H-环戊[4,5]咪唑[1,2-a]吡啶衍生物及其类似物，作为人类肿瘤坏死因子α活性的强力调节剂，因此在治疗和/或预防各种人类疾病方面具有益处，包括自身免疫和炎症性疾病；神经和神经退行性疾病；疼痛和痛觉障碍；心血管疾病；代谢性疾病；眼科疾病；以及肿瘤学疾病。
• Novel Synthesis of Carbamic Ester from Carbon Dioxide, Amine, and Ortho Ester
  作者：Shigeru Ishii、Hidenobu Nakayama、Yasuhiko Yoshida、Tadataka Yamashita

  DOI：10.1246/bcsj.62.455

  日期：1989.2

  Carbon dioxide reacted with aliphatic amines and ortho esters to form carbamic esters in good yields. The influence of different ortho esters on the carbamate synthetic reaction is described. In the case of orthocarbonates, carbamic esters were obtained in high yields. The reaction of carbon dioxide, amines, and ortho esters may involve a competitive reaction between the esterification of carbamic

  二氧化碳与脂肪胺和原酸酯反应以良好的产率形成氨基甲酸酯。描述了不同原酸酯对氨基甲酸酯合成反应的影响。在原碳酸酯的情况下，以高产率获得氨基甲酸酯。二氧化碳、胺和原酸酯的反应可能涉及由二氧化碳与胺反应产生的氨基甲酸的酯化与胺的烷基化之间的竞争反应。
• [EN] NEW HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS D'HYDROXYESTER, LEUR PROCÉDÉ DE PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2016207225A1

  公开（公告）日：2016-12-29

  Compounds of formula (1) wherein R1, R2, R3, R4, R5, R6, R7, R13, Ra, Rb, A and n are as defined in the description. Medicaments containing them for use in the treatment of cancers.

  式（1）中R1、R2、R3、R4、R5、R6、R7、R13、Ra、Rb、A和n的化合物如描述中所定义。包含它们的药物用于治疗癌症。
• Synthetic Organic Electrochemistry in Ionic Liquids: The Viscosity Question
  作者：Steven Bornemann、Scott T. Handy

  DOI：10.3390/molecules16075963

  日期：——

  Ionic liquids are obvious candidates for use in electrochemical applications due to their ionic character. Nevertheless, relatively little has been done to explore their application in electrosynthesis. We have studied the Shono oxidation of arylamines and carbamates using ionic liquids as recyclable solvents and have noted that the viscosity of the medium is a major problem, although with the addition of sufficient co-solvent, good results and excellent recovery and recycling of the ionic liquid can be achieved.

  离子液体由于其离子特性，显然是电化学应用的理想候选者。然而，关于它们在电合成中的应用研究相对较少。我们研究了使用离子液体作为可回收溶剂的芳香胺和氨基甲酸酯的 Shono 氧化反应，并注意到溶剂的粘度是一个主要问题，尽管通过添加足够的共溶剂，可以取得良好的结果，并实现离子液体的优异回收与再利用。