6-Quinolinecarboxylic acid

The 6-Quinolinecarboxylic acid with CAS registry number of 10349-57-2 is also known as 6-Carboxyquinoline. The IUPAC name is Quinoline-6-carboxylic acid. It belongs to product categories of Acids and Derivatives; Heterocycles; Quinolines, Quinazolines and derivatives; Pharmacetical; Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines; Quinoline Derivertives; Quinolinecarboxylic Acids, etc.; Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines. Its EINECS registry number is 233-761-4. In addition, the formula is C₁₀H₇NO₂ and the molecular weight is 173.17. This chemical is a beige to brown crystalline powder that should be sealed in cool, dry place. What's more, it is used as pharmaceutical intermediates and it may cause inflammation to the skin or other mucous membranes.

Physical properties about 6-Quinolinecarboxylic acid are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 0.01; (3)ACD/LogD (pH 7.4): -1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.81; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.684; (12)Molar Refractivity: 49.11 cm³; (13)Molar Volume: 129.3 cm³; (14)Surface Tension: 65.1 dyne/cm; (15)Density: 1.339 g/cm³; (16)Flash Point: 164.7 °C; (17)Enthalpy of Vaporization: 62.6 kJ/mol; (18)Boiling Point: 348.7 °C at 760 mmHg; (19)Vapour Pressure: 1.85E-05 mmHg at 25 °C.

Preparation of 6-Quinolinecarboxylic acid: it is prepared by reaction of 6-methyl-quinoline. The reaction needs reagents NO₂, N-hydroxyphthalimide, catalysts Co(OAc)₂, Mn(OAc)₂ and solvent acetic acid at the temperature of 150 °C for 5 hours. The yield is about 81%.

Uses of 6-Quinolinecarboxylic acid: it is used to produce 1,2,3,4-tetrahydro-quinoline-6-carboxylic acid. The reaction occurs with reagents aq. HClO₄, [Cp*IrCl₂]₂ and solvents propan-2-ol, H₂O with other condition of heating for 17 hours. The yield is about 64%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)N=C1
2. InChI: InChI=1S/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13)
3. InChIKey: VXGYRCVTBHVXMZ-UHFFFAOYSA-N