4-吗啉基乙酸甲酯 | 35855-10-8

• 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: 4-吗啉基乙酸甲酯
• 中文别名: 吗啉-4-乙酸甲酯；吗啉基乙酸甲酯
• 英文名称: methyl 2-morpholin-4-ylacetate
• 英文别名: methyl 2-morpholinoacetate；Methyl Morpholinoacetate
• CAS: 35855-10-8
• 化学式: C₇H₁₃NO₃
• mdl: MFCD00216973
• 分子量: 159.185
• InChiKey: LTMOFXOWXXOMEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  77 °C(Press: 2 Torr)
• 密度：
  1.089±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  常规情况下不会分解，也没有危险的反应。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  3
• 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：
  4

安全信息

• 危险品标志：
  C
• 安全说明：
  S24/25
• 危险类别码：
  R34
• 海关编码：
  2934999090
• 储存条件：
  密封保存于阴凉干燥处

SDS

Name:	Ethyl Morpholinoacetate 98% Material Safety Data Sheet
Synonym:	None Known
CAS:	35855-10-8

Section 1 - Chemical Product MSDS Name:Ethyl Morpholinoacetate 98% Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
35855-10-8	Ethyl Morpholinoacetate	98%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 35855-10-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H15NO3
Molecular Weight: 173.21

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 35855-10-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl Morpholinoacetate - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 35855-10-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35855-10-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35855-10-8 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-吗啉基乙酸甲酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-吗啉乙醇
  参考文献：
  名称：

  双氯芬酸的吗啉代烷基酯前药：合成，体外和体内评估。

  摘要：

  合成了双氯芬酸（1）的吗啉代烷基酯（HCl盐），并在体内和体外评估了它们作为口服给药前药的潜在用途。前药可自由溶解在模拟胃液（SGF）和pH 7.4磷酸盐缓冲液中，并且溶解度比母体药物至少增加2000倍。如正辛醇/ pH 7.4缓冲液分配系数所示，所有前药的亲脂性均大于1，而就正辛醇/ SGF分配系数而言，所有亲脂性均小于1。电位计测定的电离常数（pKas）在25°C时在7.52至8.40范围内。前药的化学和酶水解分别在37°C的SGF / pH 7.4磷酸盐缓冲液和大鼠血浆中进行了评估。通过化学和/或酶方法定量水解为1。碳链长度的增加使前药在pH 7.4下更稳定，但在SGF中不稳定。通常，该酯在大鼠血浆中在37摄氏度下迅速水解，水解的半衰期在4.85至23.49分钟的范围内。基于体外结果，选择前药2来评估固态稳定性，生物利用度和体内致溃疡性。在升高的温度下，2的固态分解遵循双相动力学，最

  DOI：

  10.1002/jps.2600830510
• 作为产物：
  描述：

  dimethyl 2-morpholinomalonate 在 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-吗啉基乙酸甲酯
  参考文献：
  名称：

  一般 Ir 催化的重氮丙二酸酯 N-H 插入脂肪族和芳香族胺

  摘要：

  使用 [Ir(cod)Cl] 2作为催化剂报道了受体-受体重氮丙二酸酯试剂的一般 N-H 插入反应性。可以使用多种胺，伯胺、仲胺、脂族胺和芳族胺。温和的温度、完美的底物/反应物化学计量以及良好的官能团相容性使得该过程对于胺的（后期）官能化特别有吸引力。

  DOI：

  10.1021/acs.orglett.3c03929

文献信息

• 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 compounds, compositions thereof and methods of treatment therewith
  申请人：Bhagwat S. Shripad

  公开号：US20050009876A1

  公开（公告）日：2005-01-13

  This invention is generally directed to the use of Indazole Compounds for treating or preventing diseases associated with protein kinases, including tyrosine kinases, such as proliferative diseases, inflammatory diseases, abnormal angiogenesis and diseases related thereto, atherosclerosis, macular degeneration, diabetes, obesity, pain and others. The methods comprise the administration to a patient in need thereof of an effective amount of an indazole compound that inhibits, modulates or regulates tyrosine kinase signal transduction. Novel indazole compounds or pharmaceutically acceptable salt thereof are presented herein.

  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。
• [EN] SUBSTITUTED 3-PHENYLQUINAZOLIN-4(3H)-ONES AND USES THEREOF<br/>[FR] 3-PHÉNYLQUINAZOLIN-4(3H)-ONES SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：BAYER AG

  公开号：WO2019063704A1

  公开（公告）日：2019-04-04

  The present invention covers substituted 3-Phenylquinazolin-4(3H)-one compounds of general formula (I) as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of various inflammatory and fibrotic diseases of the respiratory tract and of the lungs as well as lung cancer, as a sole agent or in combination with other active ingredients.

  本发明涵盖了通式(I)所述和定义的取代3-苯基喹唑啉-4(3H)-酮化合物，制备该化合物的方法，用于制备该化合物的有用中间体化合物，包含该化合物的药物组合物和组合物，以及利用该化合物制造用于治疗或预防疾病的药物组合物的用途，特别是用于治疗和/或预防呼吸道和肺部的各种炎症性和纤维化疾病以及肺癌，作为唯一药剂或与其他活性成分组合使用。
• HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE
  申请人：Flynn Richard M.

  公开号：US20080139683A1

  公开（公告）日：2008-06-12

  A hydrofluoroether compound comprises two terminal, independently fluoroalkyl or perfluoroalkyl groups and an intervening oxytetrafluoroethylidene moiety (—OCF(CF 3 )—) bonded through its central carbon atom to an alkoxy- or fluoroalkoxy-substituted fluoromethylene moiety (—CF(OR)—), each of the terminal groups optionally comprising at least one catenated heteroatom.

  一种氢氟醚化合物包括两个末端，独立的氟烷基或全氟烷基基团，以及一个介入的氧四氟乙烯基团（—OCF(CF3)—），通过其中心碳原子与一个烷氧基或氟烷氧基取代的氟甲基基团（—CF(OR)—）键合，每个末端基团可选地包含至少一个串联的杂原子。
• [EN] N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES<br/>[FR] DERIVES DE PIPERIDINE ET DE PIPERAZINE N-SUBSTITUES
  申请人：WARNER LAMBERT CO

  公开号：WO2005066165A1

  公开（公告）日：2005-07-21

  This invention relates to compounds of the formula 1 wherein R1, R2, R7, R8, R9, U, V, Z, A, W, X, M, E, L, T and D are defined as in the specification, pharmaceutical compositions containing them and their use in the treatment of central nervous system and other disorders.

  这项发明涉及式1的化合物，其中R1、R2、R7、R8、R9、U、V、Z、A、W、X、M、E、L、T和D的定义如规范中所述，包含它们的药物组合物以及它们在治疗中枢神经系统和其他疾病中的用途。