Description

4-Hydroxyquinoline-3-carboxylic acid (13721-01-2) Specifications

CAS	13721-01-2
CAS Min %	98%
CAS Max %	100%
MDL Number	MFCD00498984
InChI Key	ILNJBIQQAIIMEY-UHFFFAOYSA-N
Chemical Name or Material	4-Hydroxyquinoline-3-carboxylic acid
Infrared Spectrum	Authentic
Physical Form	Crystal-Powder at 20°C
Packaging	Glass bottle
Molecular Formula	C10H7NO3
Molecular Weight (g/mol)	189.17
SMILES	C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O
Color	White-Yellow
Melting Point	267-273°C
Assay	≥98.0%

At Apicmo.com, we develop, synthesize and manufacture a vast amount of 4-Dihydro-4-Oxo-Quinoline-3-Carboxylic Acid using guidelines of CGMP under our high quality control system. So whether you’re looking for small or large quantities of this compound for research or development, count on Apicmo.com. Just contact our friendly and professional customer care team today for more information. Below is the detailed information about the product.

Synonyms of the 4-Hydroxyquinoline-3-carboxylic acid (13721-01-2)

4-oxo-1,4-dihydroquinoline-3-carboxylic acid is also known as 4-Quinolone-3-carboxylic acid or 4-oxo-1,4-dihydro-3-quinolinecarboxylic acid or 4-Oxo-1,4-dihydroquinoline Carboxylic Acid or 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID or 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid or 1,2-Dihydro-4-oxo-quinoline-3-carboxylic acid or 1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID or 3-Quinolinecarboxylic acid or 1,4-dihydro-4-oxo-.

Physical and chemical properties of the 4-Hydroxyquinoline-3-carboxylic acid (13721-01-2)

Chemical Name: 3-Ethoxycarbonyl-4(1H)-quinolone

Molecular Form: C₁₂H₁₁NO₃

Appearance: Beige Solid

Melting Point: 277-279°C

Mol. Weight: 217.22

Storage: Room Temp

Solubility: DMSO (Heated)

Stability: No Data Available

Category: Aromatics, Pharmaceuticals, Intermediates  and Fine Chemicals.

Applications of 4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

There are a lot of research done on Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate as a novel of influenza endonuclease inhibitor. They also work as high-affinity ligands at the benzodiazepine site of the brain GABAA receptors.

Chemical structure of 4-oxo-1,4-dihydro-3-quinolinecarboxylic acid;

Pharmacomodulations around the 4-Oxo-1,4-dihydroquinoline-3-carboxamides

CB ₂ receptor selective ligands are some of the most popular medications since they play a vital role during physiopathological processes of this receptor.  Therefore, the development of 4-oxo-1,4-dihydroquinoline-3-carboxamides was done with the aim of characterizing further the structure−functionality and structure−affinity relationships of these derivatives. The side chain’s influence was investigated by producing compounds bearing several keto and carboxamido substituents. The role of the quinoline central scaffold, on the other hand, was studied by producing several 6-, 7-, or 8-chloro-4-oxo-1,4-dihydroquinolines, 4-oxo-1,4-dihydrocinnoline, and 4-oxo-1,4-dihydronaphthyridine derivatives. The effect brought by these modifications on the functionality  and affinity at the CB₂ receptor was recorded and allowed for characterization of the new selective CB₂ receptor ligands.

Computed properties of 4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

 

Property Name	Property Value
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Isotope Atom Count	0
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Defined Bond Stereocenter Count	0
Heavy Atom Count	14
Formal Charge	0
Compound Is Canonicalized	True
Monoisotopic Mass	189.043 g/mol
XLogP3-AA	1.8
Exact Mass	189.043 g/mol
Topological Polar Surface Area	66.4 A^2
CACTVS Substructure Key Fingerprint	AAADcYByMAAAAAAAAAAAAAAAAAAAAAA AAAAwQAAAAAAAAACBAAAAHgAQCAAAD AzBmAQwyILAAgCIAqTWSACCAAAlAgAIiIE IZMgIJD7IlZGEYYhksABI2ceY2aOeAAAAAA ACAAAAAAAAAAQAAAAAAAAAAA==
Molecular Weight	189.17 g/mol
Complexity	309
Hydrogen Bond Donor Count	2
Rotatable Bond Count	1
Hydrogen Bond Acceptor Count	4

4-Hydroxyquinoline-3-carboxylic acid (13721-01-2) Synthesis

To synthesise a series of  1-cyclopropyl-7-[4-(2,6 dimethoxy-pyrimidin-2-yl-diazenyl)-piperzin-1-yl]-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid and 1-cyclopropyl-7-[4-(2,6-dimethyl-pyrimidin-2-yl-diazenyl)-piperzin-1-yl]-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid and their dione derivatives and evaluated for their antibacterial activities.

Method

A series of 1-cyclopropyl-7-[4-(2,6 dimethoxy-pyrimidin-2-yl-diazenyl)-piperzin-1-yl]-6-fluoro-4-oxo-1,4-dihydro-quinoline-3- carboxylic acid and 1-cyclopropyl-7-[4-(2,6-dimethyl-pyrimidin-2-yl-diazenyl)-piperzin-1-yl]-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid and their dione derivatives were synthesized in moderate yield and characterized by IR, 1H NMR spectra and elemental analysis. The chemical compounds were evaluated for their in-vitro antibacterial activities against some Gram-negative and Gram-positive bacteria using conventional agar-dilution method.

Synthesis Route for 4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

 

26892-90-0 4-HYDROXYQUINOLI…
~90%	34785-11-0 4-HYDROXYQUINOLI… 13721-01-2 4-Oxo-1,4-dihydr

4-Hydroxyquinoline-3-carboxylic acid Safety Information

1. Item Identification

Name: 4-Dihydro-4-oxo-3-quinolinecarboxylic acid

2. Identification Of Perils

Ingredients of Perils:   4-Oxo-1, 4-dihydroquinoline-3-carboxylic acid

Hazard statement(s)

• May cause an allergic skin reaction
• Causes serious eye irritation

Precautionary statement(s)

• Put on Protective Items like gloves
• In case of eye contact: Wash them gently with clean water in order to get rid of the chemical substances.

3. Regulatory Information

Stick to all Federal, State and local regulations

4. Composition, Information or Ingredients

Name:  1, 4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID

5. Transport Information

Shipping Name: Classed non-hazardous for shipment

6. Disposal Considerations

Observe other rules as stated by the federal: Dissolve the compounds with a combustible solvent and use a regulated chemical incinerator that has both burner and scrubber. Follow the rules of the federal, states and local authority.

7. Toxicological Details

Acute effects:  Irritants that affect the upper respiratory tract and ingestion.

8. First Aid Measures

Eye Contact: Ensure the elements do not get into contact with the contact lenses. In case it happens, rinse your eyes with clean water thoroughly. Keep the eyes open and seek immediate medical attention.

Skin Contact: In case these hazardous elements get into contact with the skin, wash with more water gently using nonabrasive soap. Cover the area with emollient and consult your dermatologists.

Inhalation: Get the affected person out of the area and administer oxygen in case he or she is having breathing problem. Consult your doctor for medication.

Ingestion: Avoid inducing vomiting to the victim instead get him or her water to drink and seek medical help.

9. Stability and Reactivity

Incompatibilities

Strong oxidizing agents

Strong acids and bases

Hazard Decomposition Products

Carbon: Carbon monoxide

Carbon dioxide

Nitrogen: Oxides of nitrogen

10. Handling and Storage

• Be cautious while handling the product
• Avoid excessive exposure to the hazardous ingredients
• Limit the level of chemical exposure
• Never breathe in the vapors or dusts
• Take safety measures into consideration after exposure
• Avoid the ingredients from getting into the eyes, skin and cloths.
• Close the container tightly
• Use only in a chemical fume hood.
• Store the product into dry and cool place
• Ensure adequate ventilation during use.

11. Exposure Controls and Personal Protection

• Put on Protective safety goggles on the eyes.
• Use protective gloves on hands while handling the chemicals
• Put on clothing and Boots that are chemical resistant
• Use the chemical in a well ventilated area

12. Physical and Chemical Properties

Appearance: Solid

13. Stability and Reactivity

Incompatibilities: Strong oxidizing agents

Strong acids and bases

Hazard Decomposition Products

Carbon: Carbon monoxide

Carbon dioxide

Nitrogen: Oxides of nitrogen

Technical Service

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1, 2-Dihydro-4-oxo-quinoline-3-carboxylic acid (13721-01-2) Bulk Ordering and Pricing:

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Bibliography

1. Baughman, B. et al.: ACS. Chem. Biol., 7, 526 (2012); Gaurav, A. et al.: Medicin. Chem. Res., 20, 192 (2011);
2. Seongil Kang, Subin Park, Kyung-su Kim, Changsik Song, and Yunmi Lee: The Journal of Organic Chemistry 2018 83 (5), 2694-2705
3. Banerji, Biswadip; Chemical Communications (Cambridge, United Kingdom) 2005, (43), P5438-5440

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