2-氯-4-(4-吗啉基)苯甲醛 | 886501-36-6

• 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-氯-4-(4-吗啉基)苯甲醛
• 中文别名: 2-氯-4-吗啉代苯甲醛；2-氯-4-(4-吗啉)苯甲醛
• 英文名称: 2-chloro-4-morpholinobenzaldehyde
• 英文别名: 2-chloro-4-(morpholin-4-yl)benzaldehyde；2-chloro-4-morpholin-4-ylbenzaldehyde
• CAS: 886501-36-6
• 化学式: C₁₁H₁₂ClNO₂
• 分子量: 225.675
• InChiKey: ANDFLRNDOCVCFM-UHFFFAOYSA-N

物化性质

• 熔点：
  79-81 °C
• 沸点：
  403.9±45.0 °C(Predicted)
• 密度：
  1.279±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-4-morpholinobenzaldehyde
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-Chloro-4-morpholinobenzaldehyde
CAS number: 886501-36-6

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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: C11H12ClNO2
Molecular weight: 225.7

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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-氯-4-(4-吗啉基)苯甲醛 在 哌啶 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 3,6-diamino-4-(2-chloro-4-morpholinophenyl)-N-(3-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2carboxamide
  参考文献：
  名称：

  4-Arylthiono[2,3-b]pyridine-2-carboxamides 是一类新的抗疟原虫药物

  摘要：

  疟疾每年导致数十万人死亡，使其成为全球最危险的传染病之一。由于病原体已对大多数已建立的抗疟疾药物产生抗药性，因此迫切需要新的抗疟药。与类似的抗疟原虫酮类似，4-芳基噻吩并[2,3-b]吡啶-2-甲酰胺是通过索普-齐格勒反应合成的。与相关酮相比，这些羧酰胺只是疟原虫酶 PfGSK-3 的弱抑制剂，但这些化合物仍然显示出很强的抗寄生虫活性。最有效的代表以两位数纳摩尔范围内的 IC50 值抑制病原体，并表现出高选择性指数 (>100)。

  DOI：

  10.3390/molecules25143187
• 作为产物：
  描述：

  吗啉 、 2-氯-4-氟苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.25h， 以82%的产率得到2-氯-4-(4-吗啉基)苯甲醛
  参考文献：
  名称：

  4-Arylthiono[2,3-b]pyridine-2-carboxamides 是一类新的抗疟原虫药物

  摘要：

  疟疾每年导致数十万人死亡，使其成为全球最危险的传染病之一。由于病原体已对大多数已建立的抗疟疾药物产生抗药性，因此迫切需要新的抗疟药。与类似的抗疟原虫酮类似，4-芳基噻吩并[2,3-b]吡啶-2-甲酰胺是通过索普-齐格勒反应合成的。与相关酮相比，这些羧酰胺只是疟原虫酶 PfGSK-3 的弱抑制剂，但这些化合物仍然显示出很强的抗寄生虫活性。最有效的代表以两位数纳摩尔范围内的 IC50 值抑制病原体，并表现出高选择性指数 (>100)。

  DOI：

  10.3390/molecules25143187

文献信息

• [EN] 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS<br/>[FR] DERIVES DE PIPERIDINE 1,4 DISUBSTITUEE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE 11-BETAHSD1
  申请人：ASTRAZENECA AB

  公开号：WO2004033427A1

  公开（公告）日：2004-04-22

  The use of a compound of formula (I) in the manufacture of a medicament for use in the inhibition of 11βHSD1 is described.

  使用式(I)的化合物制造用于抑制11βHSD1的药物。
• [EN] CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME<br/>[FR] COMPOSÉS CARBAMATES ET LEUR PROCÉDÉ DE FABRICATION ET D'UTILISATION
  申请人：ABIDE THERAPEUTICS

  公开号：WO2013142307A1

  公开（公告）日：2013-09-26

  Provided herein are carbamate compounds which may be useful in the treatment of, for example, pain, solid tumors and/or obesity.

  本文提供的是可能在治疗疼痛、实体肿瘤和/或肥胖等方面有用的氨基甲酸酯化合物。
• [EN] CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME<br/>[FR] COMPOSÉS DE CARBAMATE ET LEUR PRÉPARATION ET UTILISATION
  申请人：ABIDE THERAPEUTICS

  公开号：WO2013103973A1

  公开（公告）日：2013-07-11

  This disclosure provides compounds and compositions which may be modulators of MAGL and/or ABHD6 and their use as medicinal agents, processes for their preparation, and pharmaceutical compositions that include disclosed compunds as at least one active agent. The disclosure also provides for method of treating a patient in need thereof, where the patient is suffering from indications such as pain, solid tumor cancer and/or obesity comprising administering a disclosed compound or composition.

  本公开提供了可能是MAGL和/或ABHD6的调节剂的化合物和组合物，以及它们作为药用剂的用途，它们的制备过程，以及包括所公开化合物作为至少一种活性剂的药物组合物。该公开还提供了一种治疗有需要的患者的方法，其中患者患有疼痛、实体肿瘤癌和/或肥胖等症状，包括给予公开的化合物或组合物。
• [EN] PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF<br/>[FR] COMPOSÉS DE PYRROLO-PYRROLE CARBAMATE ET COMPOSÉS ORGANIQUES ASSOCIÉS, COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS MÉDICALES
  申请人：ABIDE THERAPEUTICS INC

  公开号：WO2015003002A1

  公开（公告）日：2015-01-08

  The invention provides pyrrolo-pyrrole carbamate and related organic compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., solid tumor cancer, obesity, Down's syndrome, Alzheimer's disease, or pain, in a patient. The octahydropyrrolo pyrrole carbamates could be derived from hexafluoroisopropanol, Ν,Ν-disuccinimide and such. The activity of carbamates in MAGL, FAAH, and ABHD6 assays are also described.

  这项发明提供了吡咯-吡咯氨基甲酸酯及相关有机化合物，含有这些化合物的组合物，医疗工具包，以及使用这些化合物和组合物治疗患者的方法，例如固体肿瘤癌症、肥胖症、唐氏综合征、阿尔茨海默病或疼痛。八氢吡咯-吡咯氨基甲酸酯可以由六氟异丙醇、Ν,Ν-二琥珀酰亚胺等物质衍生而来。此外还描述了氨基甲酸酯在MAGL、FAAH和ABHD6测定中的活性。
• [EN] COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE TRADUCTION DU COLLAGÈNE 1 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ANIMA BIOTECH INC

  公开号：WO2021252555A1

  公开（公告）日：2021-12-16

  The present invention relates to novel Collagen 1 translation inhibitors, composition and methods of preparation thereof, and uses thereof for treating Fibrosis including lung, liver, kidney, cardiac and dermal fibrosis, IPF, wound healing, scarring and Gingival fibromatosis, Systemic Sclerosis, and alcoholic and non-alcoholic steatohepatitis (NASH).

  本发明涉及新型胶原蛋白1翻译抑制剂，其组成物及其制备方法，以及用于治疗包括肺部、肝脏、肾脏、心脏和皮肤纤维化、IPF、伤口愈合、瘢痕和牙龈纤维瘤病、全身性硬皮病，以及酒精性和非酒精性脂肪肝（NASH）的用途。