2-吗啉-5-硝基苯甲醛 | 30742-62-2

• 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-吗啉-5-硝基苯甲醛
• 英文名称: 2-morpholino-5-nitrobenzaldehyde
• 英文别名: 2-morpholin-4-yl-5-nitrobenzaldehyde
• CAS: 30742-62-2
• 化学式: C₁₁H₁₂N₂O₄
• mdl: MFCD00439921
• 分子量: 236.227
• InChiKey: PCGDWIWUQDHQLK-UHFFFAOYSA-N

物化性质

• 熔点：
  115 °C
• 沸点：
  437.0±45.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38

SDS

Name:	2-Morpholino-5-nitrobenzaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	30742-62-2

Section 1 - Chemical Product MSDS Name:2-Morpholino-5-nitrobenzaldehyde 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
30742-62-2	2-Morpholino-5-nitrobenzaldehyde	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
Treat symptomatically and supportively.

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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 water spray, dry chemical, carbon dioxide, or chemical foam.

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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# 30742-62-2: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 105 - 107 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: C11H12N2O4
Molecular Weight: 236.23

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 30742-62-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Morpholino-5-nitrobenzaldehyde - 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: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 30742-62-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 30742-62-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 30742-62-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-吗啉-5-硝基苯甲醛 在 sodium ethanolate 、 sodium acetate 、 乙酸酐 作用下， 以 乙醇 为溶剂， 反应 20.0h， 生成 2-Morpholino-5-nitro-α-benzoylamino-zimtsaeuremethylester
  参考文献：
  名称：

  Niewiadomski,K.B.; Suschitzky,H., Journal of the Chemical Society. Perkin transactions I, 1975, p. 1679 - 1682

  摘要：

  DOI：
• 作为产物：
  描述：

  吗啉 、 2-氯-5-硝基苯甲醛 在 碳酸氢钠 作用下， 生成 2-吗啉-5-硝基苯甲醛
  参考文献：
  名称：

  多磷酸的合成用途。第三部分 芳族醛嗪和酮嗪的现成合成

  摘要：

  通过将芳族醛或酮与各种羰基试剂（肼及其盐，氨基脲和甲苯-对-磺酰肼）在多磷酸中于100°加热几分钟，即可方便地制备叠氮。通过这种途径已经制备了各种二烷基氨基苯基嗪。

  DOI：

  10.1039/j39710000175

文献信息

• [EN] TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTI-BACTERIENS A BASE DE TETRAHYDROQUINOLINE TRICYCLIQUE
  申请人：UPJOHN CO

  公开号：WO2004031195A1

  公开（公告）日：2004-04-15

  The invention includes tetrahydroquinoline and related compounds of formula (I), and pharmaceutical compositions thereof, that exhibit useful antibacterial activity against a wide range of human and veterinary pathogens.

  该发明包括式(I)的四氢喹啉及相关化合物，以及展现出对广泛的人类和兽医病原体具有有用抗菌活性的药物组合物。
• [EN] 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS<br/>[FR] DÉRIVÉS 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE ET LEUR UTILISATION COMME INHIBITEURS DE WEE-1
  申请人：ALMAC DISCOVERY LTD

  公开号：WO2014167347A1

  公开（公告）日：2014-10-16

  The present invention relates to compounds of formula (I) that are useful as inhibitors of the activity of Wee-1 kinase. The present invention also relates to pharmaceutical compositions comprising these compounds and to methods of using these compounds in the treatment of cancer and methods of treating cancer.

  本发明涉及一种化合物，其化学式为(I)，可用作Wee-1激酶活性的抑制剂。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物治疗癌症的方法和治疗癌症的方法。
• [EN] PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS<br/>[FR] PYRIMIDOPYRIMIDINONES UTILES COMME INHIBITEURS DE LA WEE-1 KINASE
  申请人：ALMAC DISCOVERY LTD

  公开号：WO2015092431A1

  公开（公告）日：2015-06-25

  The present invention relates to compounds that are useful as inhibitors of the activity of Wee-1 kinase. The present invention also relates to pharmaceutical compositions comprising these compounds and to methods of using these compounds in the treatment of cancer and methods of treating cancer.

  本发明涉及一类可用作Wee-1激酶活性抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗癌症的方法和治疗癌症的方法。
• Tetrahydroquinoline derivatives as antithrombotic agents
  申请人：——

  公开号：US20030225110A1

  公开（公告）日：2003-12-04

  This invention relates generally to tetracyclic tetrahydroquinoline compounds, and analogues thereof, and pharmaceutically acceptable salt forms thereof, which are selective inhibitors of serine protease enzymes, especially factor VIIa; pharmaceutical compositions containing the same; and methods of using the same as anticoagulant agents for modulation of the coagulation cascade.

  这项发明通常涉及四环四氢喹啉化合物及其类似物，以及其药用盐形式，这些化合物是选择性抑制丝氨酸蛋白酶酶，特别是VIIa因子的；含有同样化合物的药物组合物；以及将其用作抗凝剂调节凝血级联的方法。
• Protecting-group-free amination of halogenated nitrobenzaldehyde with palladium catalyst
  作者：Jing Cao、Jun Xiang Feng、Yong Xiang Wu、Ya Ya Tuo

  DOI：10.1016/j.cclet.2010.03.028

  日期：2010.8

  "One-step" method for the synthesis of secondary aliphatic amine substituted nitrobenzaldehyde was developed. In the presence of Pd catalyst, halogenated nitrobenzaldehyde could be smoothly coupled with secondary aliphatic amine to give the target product in hexamethylphosphamide (HMPT) media without the protection of aldehyde groups. (C) 2010 Jing Cao. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  开发了一种合成α-脂肪族胺取代硝基苯甲醛的“一步法”方法。在钯催化剂存在下，卤化硝基苯甲醛可顺利与二级脂肪族胺进行偶联反应，无需对醛基进行保护，在六甲基磷酰胺（HMPT）介质中即可获得目标产物。(C) 2010 �曹静。由Elsevier B.V.代表中国化学会出版。版权所有。