2,5-二乙氧基-4-吗啉基苯胺 | 51963-82-7

• 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: 2,5-二乙氧基-4-吗啉基苯胺
• 英文名称: 2,5-diethoxy-4-morpholinoaniline
• 英文别名: 2,5-diethoxy-4-morpholin-4-yl-phenylamine；2,5-diethoxy-4-morpholin-4-ylaniline
• CAS: 51963-82-7
• 化学式: C₁₄H₂₂N₂O₃
• mdl: MFCD02052680
• 分子量: 266.34
• InChiKey: DDCBPJKVWMBNCC-UHFFFAOYSA-N

物化性质

• 熔点：
  83-86
• 沸点：
  466.0±45.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  57
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22
• 海关编码：
  2934999090

SDS

Name:	2 5-diethoxy-4-morpholinoaniline Material Safety Data Sheet
Synonym:	2,5-Diethoxy-4-morpholinoaminobenzen
CAS:	51963-82-7

Section 1 - Chemical Product MSDS Name:2 5-diethoxy-4-morpholinoaniline Material Safety Data Sheet
Synonym:2,5-Diethoxy-4-morpholinoaminobenzen

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51963-82-7	2,5-Diethoxy-4-morpholinoaniline	97%	257-562-7

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Moisture sensitive.Air sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. 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:

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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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under an inert atmosphere.

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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# 51963-82-7: Personal Protective Equipment Eyes: Not available.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: purple
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 93 - 96 deg C
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: C14H22N2O3
Molecular Weight: 266

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, moisture, exposure to air, contact with water.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides, halogens, halogenated agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51963-82-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,5-Diethoxy-4-morpholinoaniline - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 51963-82-7: 2
Canada
CAS# 51963-82-7 is listed on Canada's NDSL List.
CAS# 51963-82-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51963-82-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,5-二乙氧基-4-吗啉基苯胺 以 aq. phosphate buffer 为溶剂， 以43%的产率得到2,5-二乙氧基-1,4-苯醌
  参考文献：
  名称：

  Electrochemical oxidation of 2,5-diethoxy-4-morpholinoaniline in aqueous solutions

  摘要：

  Electrochemical oxidation of 2,5-diethoxy-4-morpholinoaniline (1) has been studied at various pH values using cyclic voltammetry and controlled-potential coulometry. The results indicate that electrochemically generated p-benzoquinonediimine (1ox) is unstable and participates in the two types of reactions based on solution's pH. The results also show that in the acidic media, electrochemically generated 1ox via two successive hydrolysis reactions is converted to 2,5-diethoxy-p-benzoquinone (3ox), while at intermediate pH values, the Michael addition reaction of 1-1ox takes place prior to the hydrolysis reaction. Our data show that in these pH values, 1ox via two successive Michael addition reactions followed by a hydrolysis reaction is converted to 2,5-bis(2,5-diethoxy-4-morpholinophenylamino)-3,6-diethoxy-p-benzoquinone (6ox). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2013.09.063
• 作为产物：
  描述：

  4-(2,5-二乙氧基-4-硝基苯基)吗啉 在 甲酸 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以92%的产率得到2,5-二乙氧基-4-吗啉基苯胺
  参考文献：
  名称：

  使用钴基纳米催化剂对官能化硝基芳烃进行高选择性转移氢化

  摘要：

  苯胺是合成多种化学品（例如染料，颜料，药物和农用化学品）的重要原料。硝基化合物的化学选择性催化还原代表了功能化苯胺生产的最重要和最普遍的过程。因此，开发在其他可还原基团存在下还原硝基化合物的选择性催化剂是一个重大挑战，也是至关重要的。在这方面，我们在此表明​​氧化钴（Co 3 O 4由钴-菲咯啉配合物在碳上热解制备的基于-NGr @ C）的纳米材料构成了高度选择性的催化剂，用于使用甲酸作为氢源将硝基芳烃氢化成苯胺。使用这些催化剂，一系列结构多样且功能化的硝基芳烃已被还原为苯胺，具有前所未有的化学选择性，可耐受卤化物，烯烃，醛，酮，酯，酰胺和腈的官能团。

  DOI：

  10.1039/c4gc00731j

文献信息

• Therapeutic heterocyclic compounds
  申请人：——

  公开号：US20030013708A1

  公开（公告）日：2003-01-16

  Provided herein is a compound having the formula (I): 1 Wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有以下式（I）： 其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、恐慌障碍和睡眠障碍。这些化合物还可能用于治疗胃肠道障碍、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。这些化合物是5HT 1B和5HT 1D拮抗剂。
• Therapeutic chromone compounds
  申请人：——

  公开号：US20040087575A1

  公开（公告）日：2004-05-06

  Provided herein is a compound of the formula (I) wherein said compound is useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating, disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B antagonists. Also provided herein are processes for making compounds of Formula (I) and intermediate compounds.

  本文提供的是一种化合物，其化学式为（I），其中该化合物可用于治疗包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、恐慌障碍和睡眠障碍在内的精神疾病。这些化合物也可能对治疗胃肠道疾病、心血管调节、运动障碍、内分泌失调、血管痉挛和性功能障碍有用。这些化合物是5HT 1B 拮抗剂。本文还提供了制备化合物（I）和中间体化合物的方法。
• Therapeutic chroman compounds
  申请人：——

  公开号：US20040110745A1

  公开（公告）日：2004-06-10

  Provided herein is a compound represented by the Formula (I) wherein said compounds are useful for the treatment of migraine. Also provided are processes for the preparation of compounds of Formula (I) and intermediates.

  本文提供的是一种化合物，其化学式表示为（I），其中这些化合物对治疗偏头痛有用。还提供了制备化合物（I）和中间体的方法。
• [EN] VEGFR TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE VEGFR
  申请人：SUZHOU VIVOTIDE BIOTECHNOLOGIES CO LTD

  公开号：WO2014183300A1

  公开（公告）日：2014-11-20

  Novel compounds, their prodrugs, and the pharmaceutically acceptable salts as pharmaceutical compositions containing such compounds useful in treating certain diseases modulated by the inhibition of vascular endothelial growth factors (VEGFs) receptor tyrosine kinases are provided. In particular, compounds and compositions and the methods for the prophylaxis, management and treatment of cancers through the inhibition of VEGF receptor tyrosine kinases are provided.

  提供了作为含有这些化合物的药物组合物的前药和药用盐，用于治疗受血管内皮生长因子（VEGFs）受体酪氨酸激酶抑制调节的特定疾病。具体提供了通过抑制VEGF受体酪氨酸激酶来预防、管理和治疗癌症的化合物、组合物和方法。
• Synthesis and biological evaluation of some novel pyrido[1,2-a]pyrimidin-4-ones as antimalarial agents
  作者：Uttam R. Mane、D. Mohanakrishnan、Dinkar Sahal、Prashant R. Murumkar、Rajani Giridhar、Mange Ram Yadav

  DOI：10.1016/j.ejmech.2014.04.031

  日期：2014.5

  showed moderate antimalarial activity. Cytotoxicity study was performed against mammalian cell line (Huh-7) by using the MTT assay for the moderately active compounds. Structural activity relationship (SAR) studies displayed that B-ring unsubstituted pyrido[1,2-a]pyrimidine scaffold is responsible for the antimalarial activities of the evaluated derivatives. This SAR based antimalarial screening supported

  合成了新型吡啶并[1,2- a ]嘧啶-4-酮，并通过SYBR Green I分析法评估了对氯喹（CQ）敏感的Pf 3D7菌株的促红细胞生成阶段的抗疟活性。对42种不同化合物进行的抗疟疾筛查显示，3-氟苄基（4-oxo-4 H-吡啶基[1,2 -a ]嘧啶-3-基）氨基甲酸酯（21，IC 50值为33μM）和4-Oxo- N -[[4-（三氟甲基）苄基] -4 H-吡啶基[1,2- a ]嘧啶-3-羧酰胺（37，IC 50值37μM）表现出中等抗疟活性。通过对中等活性化合物进行MTT分析，对哺乳动物细胞系（Huh-7）进行了细胞毒性研究。结构活性关系（SAR）研究表明，B环未取代的吡啶并[1,2- a ]嘧啶骨架负责所评估衍生物的抗疟活性。这种基于SAR的抗疟疾筛选方法支持将吡啶并[1,2- a ]嘧啶-4-酮视为主要的杂环结构，以进一步开发更有效的抗疟疾活性衍生物。