2-吗啉基吡啶-3-甲醛 | 465514-09-4

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-吗啉基吡啶-3-甲醛
• 中文别名: 2-(4-吗啉基)吡啶-3-甲醛；2-吗啉代吡啶-3-醛；2-吗啉烟醛
• 英文名称: 2-morpholinonicotinaldehyde
• 英文别名: 2-morpholin-4-ylpyridine-3-carbaldehyde
• CAS: 465514-09-4
• 化学式: C₁₀H₁₂N₂O₂
• 分子量: 192.217
• InChiKey: CCPVZIBHRFCNTR-UHFFFAOYSA-N

物化性质

• 熔点：
  54 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 安全说明：
  S26,S37/39
• 储存条件：
  2-8°C

SDS

Name:	2-Morpholin-4-yl-pyridine-3-carbaldehyde 95+% Material Safety Data Sheet
Synonym:
CAS:	465514-09-4

Section 1 - Chemical Product MSDS Name:2-Morpholin-4-yl-pyridine-3-carbaldehyde 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
465514-09-4	2-Morpholin-4-yl-pyridine-3-carbaldehy	95+%	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 nitrogen.

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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# 465514-09-4: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 50 - 54 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: C10H12N2O2
Molecular Weight: 192.22

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing 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# 465514-09-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Morpholin-4-yl-pyridine-3-carbaldehyde - 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# 465514-09-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 465514-09-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 465514-09-4 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

制备方法与用途

2-吗啉代吡啶-3-醛是一种吡啶类衍生物，可用于对含吡啶药物分子和生物活性分子进行结构修饰和衍生化处理。

反应信息

• 作为反应物：
  描述：

  2-吗啉基吡啶-3-甲醛 在 N,N-二甲基丙烯基脲 作用下， 反应 6.0h， 以68%的产率得到2-吗啉基吡啶
  参考文献：
  名称：

  邻氨基苯甲醛的无催化剂光脱羰

  摘要：

  几乎共识是，醛基（–CHO）的脱羰不仅需要通过过渡金属催化剂来介导，而且还需要严格的反应条件（高温和长反应时间）。在这项工作中，受“基于构象选择性的”设计策略的启发，我们打破了这一共识，并发现了醛基的无催化剂光脱羰基。它表明，脱羰基化可以用可见光照射能够容易地实现通过引入叔胺到邻醛基的-位置。在温和条件下，我们的光脱羰基化可以耐受各种各样的叔胺。此外，在精心设计的特殊底物上进行机理和实验的（QM）计算表明，我们的光脱羰基取决于醛基和叔胺的构象特异性，并通过异常的[1,4] -H位移和随后的[1,3] -H移位。

  DOI：

  10.1039/d0gc01256d
• 作为产物：
  描述：

  吗啉 、 2-氯-3-吡啶甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-吗啉基吡啶-3-甲醛
  参考文献：
  名称：

  Anusha, D.; Prakasham, R. S.; Praveena, G., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2021, vol. 60, # 1, p. 117 - 126

  摘要：

  DOI：

文献信息

• [EN] IMIDAZO [4, 5 - B] PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS<br/>[FR] DÉRIVÉS IMIDAZO [4,5-B] PYRIDINE COMME MODULATEURS D'ALK ET DE JAK POUR LE TRAITEMENT DE TROUBLES PROLIFÉRATIFS
  申请人：CEPHALON INC

  公开号：WO2013116291A1

  公开（公告）日：2013-08-08

  This application relates to compounds of the Formula I as defined herein, and/or salts thereof. This application further relates to compositions and methods of using these compounds and/or salts thereof. The compounds of Formula I are useful as ALK and JAK modulators for the treatment of proliferative disorders.

  这项申请涉及到本文所定义的Formula I化合物及/或其盐。此申请进一步涉及到使用这些化合物和/或其盐的组合物和方法。Formula I化合物可用作ALK和JAK调节剂，用于治疗增殖性疾病。
• [EN] HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS<br/>[FR] THIÉNO[2,3-D]PYRIMIDINES À SUBSTITUTION HÉTÉROARYLE ET PHÉNYLE ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DU RÉCEPTEUR A2A DE L'ADÉNOSINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2010045012A1

  公开（公告）日：2010-04-22

  This invention relates to a novel thieno[2,3-d]pyrimidine, Z, and its therapeutic and prophylactic uses, wherein R1 and R2 are definedin the specification. Disorders treated and/or prevented include Parkinson's Disease.

  这项发明涉及一种新型噻吩[2,3-d]嘧啶化合物Z及其治疗和预防用途，其中R1和R2在规范中有定义。治疗和/或预防的疾病包括帕金森病。
• [EN] NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN<br/>[FR] NOUVEAUX COMPOSES DE PYRIDIN-2-ONE UTILISABLES EN TANT QU'INHIBITEURS DE THROMBINE
  申请人：ASTRAZENECA AB

  公开号：WO2005075424A1

  公开（公告）日：2005-08-18

  There is provided a compound of formula I, wherein the dashed line, R1, R2, R3a, R3b, A, D, E, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of thrombin is required or desired, and/or conditions where anticoagulant therapy is indicated).

  提供了一个式I的化合物，其中虚线、R1、R2、R3a、R3b、A、D、E、G和L的含义如描述中所示，这些化合物可用作竞争性蛋白酶抑制剂，如凝血酶，或者可用作其前药，特别适用于需要抑制凝血酶有益的情况的治疗（例如需要或希望抑制凝血酶的情况，如血栓栓塞等情况，以及需要抗凝治疗的情况）。
• Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders
  申请人：Kelly G. Michael

  公开号：US20050059638A1

  公开（公告）日：2005-03-17

  Disclosed are aryl, heteroaromatic and bicyclic aryl nitrone compounds and pharmaceutical compositions containing such derivatives. The disclosed compositions are useful for preventing and/or treating pain, neurodegenerative, autoimmune and inflammatory diseases or conditions in mammals.

  本发明涉及芳基，杂环芳基和双环芳基亚硝基化合物以及含有这些衍生物的药物组合物。所述组合物可用于预防和/或治疗哺乳动物中的疼痛，神经退行性，自身免疫和炎症性疾病或症状。
• Pyridin-2-one compounds useful as inhibitors of thrombin
  申请人：Bayrakdarian Malken

  公开号：US20070161643A1

  公开（公告）日：2007-07-12

  There is provided a compound of formula I wherein the dashed line, R 1 , R 2 , R 3a , R 3b , A, D, E, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of thrombin is required or desired, and/or conditions where anticoagulant therapy is indicated).

  提供了一种I式化合物，其中虚线，R1，R2，R3a，R3b，A，D，E，G和L的含义在说明书中给出，这些化合物可用作竞争性蛋白酶抑制剂，例如凝血酶，或可用作其前药，因此特别适用于治疗需要抑制凝血酶的情况（例如需要或期望抑制凝血酶的血栓栓塞等疾病，以及需要抗凝治疗的情况）。