2-(2-吗啉-4-基乙氧基)苯胺 | 64039-56-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(2-吗啉-4-基乙氧基)苯胺
• 英文名称: 2-[2-(morpholin-4-yl)ethoxy]aniline
• 英文别名: 2-(2-morpholinoethoxy)aniline；2-(2-Morpholino-aethoxy)-anilin；2-(2-Morpholin-4-ylethoxy)aniline
• CAS: 64039-56-1
• 化学式: C₁₂H₁₈N₂O₂
• mdl: MFCD04970982
• 分子量: 222.287
• InChiKey: NJDILKXBXBBAKF-UHFFFAOYSA-N

物化性质

• 熔点：
  41 °C
• 沸点：
  379.6±32.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi,C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R34
• 海关编码：
  2934999090
• 危险品运输编号：
  UN 3261

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(2-Morpholinoethoxy)aniline, HCl
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: 2-(2-Morpholinoethoxy)aniline, HCl
CAS number: 64039-56-1

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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.
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: C12H19ClN2O2
Molecular weight: 258.7

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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, hydrogen chloride.

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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

反应信息

• 作为反应物：
  描述：

  2-(2-吗啉-4-基乙氧基)苯胺 在 copper(ll) sulfate pentahydrate 、 sodium L-ascorbate 、 四丁基溴化铵 、 potassium hydroxide 作用下， 以 四氢呋喃 、 水 、 甲苯 、 叔丁醇 为溶剂， 反应 7.0h， 生成 1-(4'-methoxyphenyl)-4-[N-[2-(2'-morpholinoethoxy)phenyl]aminomethyl]-1H-1,2,3-triazole
  参考文献：
  名称：

  新型1-取代的苯基-4- [N-[（2'-吗啉代乙氧基）苯基]氨基甲基] -1H-1,1,2,3-三唑的合成及生物活性

  摘要：

  在试图寻找有效的抗真菌剂，一系列新的1-取代的苯基-4- [ ñ - [（2'- morpholinothoxy）苯基]氨基甲基] -1 ħ -1,2,3-三唑5A-m的是设计并合成了经由各种（2-吗啉代乙氧基）之间的Huisgen环加成反应- ñ（丙-2-炔基）苯胺不同azidobenzene和- 。它们的化学结构通过1 H NMR和元素分析进行了表征。在微波波辅助的4a–c合成中观察到较温和的条件和令人满意的收率的反应更清洁。一些目标化合物的杀真菌活性进行评价体外抗50μg/ mL的镰刀菌镰刀菌，皮氏菌假单胞菌，茄黑链格孢菌，花生赤霉菌和玉米赤霉菌。生物测定结果表明某些化合物表现出中等的杀真菌活性。此外，化合物5h显示出与阳性对照化合物相同的抗黑斑病菌的活性。

  DOI：

  10.1111/j.1747-0285.2011.01172.x
• 作为产物：
  描述：

  2-吗啉乙醇 在 tin(II) chloride dihdyrate 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 2-(2-吗啉-4-基乙氧基)苯胺
  参考文献：
  名称：

  某些新型取代的N，N'-二芳基脲衍生物的合成及其p38抑制活性。

  摘要：

  我们已经鉴定出一系列新的取代的N，N'-二芳基脲p38α抑制剂。测试了目标化合物对BHK细胞中p38α，MAPKAPK2酶的抑制活性，LPS刺激的THP-1细胞中TNF-α的释放以及p38α结合实验。在这些化合物中，25a抑制p38α酶的IC50值为0.47 nM，KD值为1.54×10（-8），似乎是该系列中最有希望的化合物。

  DOI：

  10.3390/molecules21050677

文献信息

• Targeting the colchicine site in tubulin through cyclohexanedione derivatives
  作者：María-Dolores Canela、Oskía Bueno、Sam Noppen、Gonzalo Sáez Calvo、Juan Estévez Gallego、J. F. Díaz、María-José Camarasa、Sandra Liekens、María-Jesús Pérez-Pérez、Eva-María Priego

  DOI：10.1039/c5ra26807a

  日期：——

  Cyclohexanedione derivatives represent a new family of colchicine-site binders that were identified through a ligand-based virtual screening approach. Structural modifications have now been performed at both distal sites of our identified hit [2-(1-((2-methoxyphenyl)amino)ethylidene)-5-phenylcyclohexane-1,3-dione (4)] in order to improve tubulin binding affinity, anti-proliferative activity and/or

  环己二酮衍生物代表了一种新的秋水仙碱位结合剂家族，它们是通过基于配体的虚拟筛选方法鉴定出来的。现在已经在我们确定的命中[2-（1-（（（2-甲氧基苯基）氨基）亚乙基）-5-苯基环己烷-1,3-二酮（4）]的两个远端部位进行了结构修饰，以改善微管蛋白的结合亲和力，抗增殖活性和/或水溶性。获得的结果表明，根据对接研究，2-甲氧基苯基环（该片段更靠近αβ-微管蛋白界面）是允许结构变化以提高针对微管蛋白的K a值的化合物（如在化合物20a中，K a = 1.3×10 7M -1（类似于秋水仙碱）或提高水溶性，例如在化合物22c中，其可溶性比以前的命中4高10倍以上。
• FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS
  申请人：Ahmed Gulzar

  公开号：US20090221555A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供公式I或II化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。公式I或II化合物具有ALK和/或c-Met抑制活性，可用于治疗增殖性疾病。
• Fused Thiazole Derivatives as Kinase Inhibitors
  申请人：Alexander Rikki Peter

  公开号：US20100137302A1

  公开（公告）日：2010-06-03

  A series of 6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-4(5H)-one derivatives, and analogues thereof, which are substituted in the 2-position by an optionally substituted morpholin-4-yl moiety, being selective inhibitors of PI3 kinase enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions.

  一系列6,7-二氢[1,3]噻唑并[5,4-c]吡啶-4(5H)-酮衍生物及其类似物，其在2位被一个可选择取代的吗啡啶-4-基团取代，是PI3激酶酶的选择性抑制剂，在医学上具有益处，例如用于治疗炎症、自身免疫、心血管、神经退行性、代谢、肿瘤、疼痛或眼科疾病。
• Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors
  申请人：Ahmed Gulzar

  公开号：US20120165519A1

  公开（公告）日：2012-06-28

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了式I或II的化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。式I或II的化合物具有ALK和/或c-Met抑制活性，并可用于治疗增生性疾病。
• Chabrier et al., Bulletin de la Societe Chimique de France, 1955, p. 1353,1358
  作者：Chabrier et al.

  DOI：——

  日期：——