2,3-Cyclohexeno pyridine

The IUPAC name of this chemical is 2,3-Cyclohexenopyridine. With the CAS registry number 10500-57-9 and EINECS registry number 234-030-2, it is also named as 2,3-cyclohexenopyridine. In addition, the molecular formula is C₉H₁₁N. It belongs to the classes of Quinoline & Isoquinoline; API Intermediates; Quinoline Derivertives. And it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 1.34; (3)ACD/LogD (pH 7.4): 2.161; (4)ACD/BCF (pH 5.5): 3.83; (5)ACD/BCF (pH 7.4): 25.356; (6)ACD/KOC (pH 5.5): 52.045; (7)ACD/KOC (pH 7.4): 344.583; (8)Polar Surface Area: 12.89 Å²; (9)Index of Refraction: 1.548; (10)Molar Refractivity: 41.13 cm³; (11)Molar Volume: 129.486 cm³; (12)Polarizability: 16.305 ×10^-24cm³; (13)Surface Tension: 41.011 dyne/cm; (14)Density: 1.029 g/cm³; (15)Flash Point: 86.111 °C; (16)Enthalpy of Vaporization: 44.051 kJ/mol; (17)Boiling Point: 222.729 °C at 760 mmHg; (18)Vapour Pressure: 0.149 mmHg at 25°C.

Preparation of 2,3-Cyclohexenopyridine: it can be prepared by 3-(2-oxo-cyclohexyl)-propionaldehyde. This reaction will need reagent hydroxylamine hydrocloride and solvent ethanol. The reaction time is 2 hours by heating. The yield is about 43%.

Uses of 2,3-Cyclohexenopyridine: it can be used to get (+-)-cis-decahydroquinoline. This reaction will need reagents H₂ and 5 percent Rh on alumina, and solvent acetic acid. The reaction time is 3 days at reaction temperature of 55 °C. The reaction pressure is 2068.6 Pa. And the yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(nc1)CCCC2
(2)InChI: InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2
(3)InChIKey: YQDGQEKUTLYWJU-UHFFFAOYAL