6-(吗啉-4-基)吡啶-3-甲醛 | 173282-60-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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: 6-(吗啉-4-基)吡啶-3-甲醛
• 中文别名: 6-吗啉-4-基-吡啶-3-甲醛
• 英文名称: 2-morpholinopyridine-5-carbaldehyde
• 英文别名: 6-morpholinonicotinaldehyde；6-morphilin-4-yl-pyridine-3-carbaldehyde；6-morpholin-4-yl-pyridine-3-carbaldehyde；6-morpholinoylnicotinoylaldehyde；6-morpholin-4-ylpyridine-3-carbaldehyde
• CAS: 173282-60-5
• 化学式: C₁₀H₁₂N₂O₂
• 分子量: 192.217
• InChiKey: VZEANTSDLFVWCK-UHFFFAOYSA-N

物化性质

• 熔点：
  86-88°C
• 沸点：
  395.8±42.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

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
• 危险类别：
  IRRITANT
• 安全说明：
  S26,S36/37/39

SDS

Name:	6-Morpholin-4-yl-pyridine-3-carbaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	173282-60-5

Section 1 - Chemical Product MSDS Name:6-Morpholin-4-yl-pyridine-3-carbaldehyde 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
173282-60-5	6-Morpholin-4-yl-pyridine-3-carbaldehy	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.

---

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# 173282-60-5: 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: 84 - 86 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:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 173282-60-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-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# 173282-60-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 173282-60-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 173282-60-5 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：

  6-(吗啉-4-基)吡啶-3-甲醛 在 盐酸 、 sodium hydride 、 溶剂黄146 、 zinc(II) iodide 、 肼 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 水 、 甲苯 为溶剂， 生成 N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxy-2-(6-morpholin-4-ylpyridin-3-yl)acetamide
  参考文献：
  名称：

  Novel 2-methoxyacylhydrazones as potent, selective PDE10A inhibitors with activity in animal models of schizophrenia

  摘要：

  A series of 2-methoxyacylhydrazones were optimized to yield compounds with high affinity for PDE10A. Several compounds demonstrated efficacy in animal models of schizophrenia, including conditioned avoidance response and a pro-psychotic phencyclidine hyperactivity model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.007
• 作为产物：
  描述：

  (6-吗啉-3-吡啶基)甲醇 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 36.0h， 以82%的产率得到6-(吗啉-4-基)吡啶-3-甲醛
  参考文献：
  名称：

  [EN] 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS DE 3-(5-MÉTHOXY-1-OXOISOINDOLIN-2-YL)PIPÉRIDINE-2,6-DIONE ET LEURS UTILISATIONS

  摘要：

  本公开涉及式(I')的化合物、药物组合物及其在降低广泛间隔锌指蛋白结构域（WIZ）表达水平、诱导胎儿血红蛋白（HbF）表达以及治疗遗传性血液疾病（例如，血红蛋白病，例如，β-血红蛋白病）方面的用途，如镰状细胞病和β-地中海贫血。

  公开号：

  WO2021124172A1

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS
  申请人：Aissaoui Hamed

  公开号：US20110281869A1

  公开（公告）日：2011-11-17

  The invention relates to novel tetrahydroisoquinoline derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including pharmaceutical compositions containing one or more of those compounds and their use as medicaments for the treatment or prevention of protozoal infections, such as especially malaria.

  这项发明涉及新型四氢异喹啉衍生物及其作为药物组合物中活性成分的用途。该发明还涉及相关方面，包括含有其中一种或多种化合物的药物组合物以及它们作为治疗或预防原虫感染的药物，尤其是疟疾的用途。
• [EN] TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS<br/>[FR] TÉTRAHYDROISOQUINOLÉINES EN TANT QU'AGENTS ANTIPALUDÉENS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009141782A1

  公开（公告）日：2009-11-26

  The invention relates to novel tetrahydroisoquinoline derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including pharmaceutical compositions containing one or more of those compounds and their use as medicaments for the treatment

  这项发明涉及新型四氢异喹啉衍生物及其在制备药物组合物中作为活性成分的用途。该发明还涉及相关方面，包括含有其中一种或多种化合物的药物组合物以及它们作为治疗药物的用途。
• Synthesis and structure–activity relationship study of novel quinazolinone-based inhibitors of MurA
  作者：Martina Hrast、Kaja Rožman、Marko Jukič、Delphine Patin、Stanislav Gobec、Matej Sova

  DOI：10.1016/j.bmcl.2017.05.064

  日期：2017.8

  is essential for peptidoglycan biosynthesis, and is therefore an important target for antibacterial drug discovery. We report the synthesis, in silico studies and extensive structure–activity relationships of a series of quinazolinone-based inhibitors of MurA from Escherichia coli. 3-Benzyloxyphenylquinazolinones showed promising inhibitory potencies against MurA, in the low micromolar range, with an

  MurA是肽聚糖生物合成必不可少的细胞内细菌酶，因此是抗菌药物发现的重要靶标。我们报告了一系列来自大肠杆菌的MurA的基于喹唑啉酮的抑制剂的合成，计算机模拟研究和广泛的结构-活性关系。3-苯甲氧基苯基喹唑啉酮类化合物在低微摩尔范围内显示出对MurA的抑制作用，最有效的衍生物的IC 50为8 µM（58）。此外，呋喃基取代的喹唑啉酮（38，46）的抗菌活性令人振奋，MIC浓度从1 µg / mL到8 µg / mL，并具有其MurA抑制能力。这些数据代表了开发新型抗菌剂以对抗不断增加的细菌耐药性的重要一步。
• [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。