4-Methyl-6-quinolinecarboxylic acid

Basic Information

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CAS Number

7101-68-0

Molecular Formula

C11H9NO2

Molecular Weight

187.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

364.8±27.0 °C(Predicted)

Density

1.285±0.06 g/cm3(Predicted)

SMILES

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Cc1ccnc2c1cc(cc2)C(=O)O

InChI

InChI=1S/C11H9NO2/c1-7-4-5-12-10-3-2-8(11(13)14)6-9(7)10/h2-6H,1H3,(H,13,14)

InChIKey

CPOLAGTVBYOMKS-UHFFFAOYSA-N

LogP

2.2414199999999993

pKa

3.14±0.30(Predicted)

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

4-Methyl-quinoline-6-carboxylic acid
4-Methyl-6-quinolinecarboxylic acid
6-Quinolinecarboxylicacid, 4-methyl-
4-Methylquinoline-6-carboxylic acid
4-methyl-6-quinolinecrboxylic acid
4-Methyl-chinolin-6-carbonsaeure
4-methyl-quinoline-6-carboxylic acid
AC1N9X86
CTK2H5429
F9995-1002
Oprea1_029306
STL227870
SureCN4641324
4-methylquinoline-6-carboxylic acid

MDL Number

MFCD02690166

FAQ

What are the physical and chemical properties of 4-Methyl-6-quinolinecarboxylic acid (CAS: 7101-68-0)?

4-Methyl-6-quinolinecarboxylic acid is a white or slightly yellow crystalline solid with a molecular weight of 197.17 g/mol. It has a solubility of 5.2 g/L in water and is moderately soluble in common organic solvents like ethanol and acetonitrile. The compound is relatively stable, but it may undergo acid-catalyzed reactions under certain conditions. It is not highly reactive under normal laboratory conditions.

How is 4-Methyl-6-quinolinecarboxylic acid (CAS: 7101-68-0) typically synthesized?

4-Methyl-6-quinolinecarboxylic acid is typically synthesized by the reaction of 4-methyl-6-quinolone with hydrochloric acid. This involves treating 4-methyl-6-quinolone with concentrated hydrochloric acid in a stirred reactor. The reaction is exothermic and should be carried out at a controlled temperature to achieve high yield and selectivity. Other methods include the direct oxidation of 4-methylquinoline using suitable oxidizing agents.

What industries use 4-Methyl-6-quinolinecarboxylic acid (CAS: 7101-68-0)?

4-Methyl-6-quinolinecarboxylic acid finds applications in various industries. It is used as a precursor in the pharmaceutical industry for the synthesis of certain drugs. In the polymer industry, it serves as a functional monomer for the preparation of advanced materials. Additionally, it is used in the development of sensors and as a component in the semiconductor industry due to its chemical and structural properties.

What precautions should be taken when handling 4-Methyl-6-quinolinecarboxylic acid (CAS: 7101-68-0)?

When handling 4-Methyl-6-quinolinecarboxylic acid (CAS: 7101-68-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, it is important to clean up promptly using appropriate absorbent materials and follow proper waste disposal procedures. Always refer to the Safety Data Sheet (SDS) for detailed guidance on safe handling and storage.