2-CYANO-3-HYDROXYQUINOLINE

The 2-Quinolinecarbonitrile,3-hydroxy- is an organic compound with the formula C₁₀H₆N₂O. The systematic name of this chemical is 3-Hydroxyquinoline-2-carbonitrile. With the CAS registry number 15462-43-8, it is also named as 2-Cyano-3-hydroxyquinoline. Besides, its molecular weight is 170.17.

The physical properties of 2-Quinolinecarbonitrile,3-hydroxy- are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 11.42; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 148.1; (7)ACD/KOC (pH 7.4): 3.16; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.91 Å²; (12)Index of Refraction: 1.702; (13)Molar Refractivity: 48.2 cm³; (14)Molar Volume: 124.4 cm³; (15)Polarizability: 19.1×10^-24 cm³; (16)Surface Tension: 77.1 dyne/cm; (17)Density: 1.36 g/cm³; (18)Flash Point: 189.2 °C; (19)Enthalpy of Vaporization: 66.36 kJ/mol; (20)Boiling Point: 389.3 °C at 760 mmHg; (21)Vapour Pressure: 1.28E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-Hydroxyquinoline-1-oxide and Hydrogen cyanide; potassium salt. This reaction will need reagents chlorotrimethylsilane and Et₃N and solvent dimethylformamide. The reaction time is 2 days with reaction temperature of 100 - 110 °C. The yield is about 64%.

Uses of 2-Quinolinecarbonitrile,3-hydroxy-: it can be used to produce 4,5-Dihydro-2-(3-hydroxyquinolin-2-yl)thiazole-4(S)-carboxylic acid at temperature of 60 °C. It will need reagent phosphate buffer and solvent methanol with reaction time of 24 hours. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1nc2ccccc2cc1O
(2)InChI: InChI=1/C10H6N2O/c11-6-9-10(13)5-7-3-1-2-4-8(7)12-9/h1-5,13H
(3)InChIKey: HQMDFABEUPPGNK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H6N2O/c11-6-9-10(13)5-7-3-1-2-4-8(7)12-9/h1-5,13H
(5)Std. InChIKey: HQMDFABEUPPGNK-UHFFFAOYSA-N