2,6-DIMETHYLQUINAZOLIN-4(3H)-ONE

This chemical is called 4(3H)-Quinazolinone, 2,6-dimethyl-, and its systematic name is 2,6-dimethylquinazolin-4(1H)-one. With the molecular formula of C₁₀H₁₀N₂O, its molecular weight is 174.20. The CAS registry number of this chemical is 18731-19-6.

Other characteristics of the 4(3H)-Quinazolinone, 2,6-dimethyl- can be summarised as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.57; (6)ACD/BCF (pH 7.4): 4.59; (7)ACD/KOC (pH 5.5): 103.25; (8)ACD/KOC (pH 7.4): 103.56; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 50.11 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 19.86×10^-24cm³; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 157.4 °C; (20)Enthalpy of Vaporization: 57.98 kJ/mol; (21)Boiling Point: 336.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000111 mmHg at 25°C.

Production method of this chemical: The 4(3H)-Quinazolinone, 2,6-dimethyl- could be obtained by the reactants of acetic acid anhydride and acetic acid-(2,4-dimethyl-anilide). This reaction needs the reagents of potassium permanganate, ammonium acetate. acetic acid, and the solvent of H₂O, petroleum ether. The yield is 20 %. In addition, this reaction should be taken for 3 hours at the temperature of 80 °C. The other condition is heating.

Uses of this chemical: The 6-bromomethyl-3,4-dihydro-2-methyl-4-oxo-quinazoline could be obtained by the 4(3H)-Quinazolinone, 2,6-dimethyl-. This reaction needs the reagent of N-bromosuccinimide (NBS), benzoyl peroxide, and the solvent of CHCl₃. The yield is 69 %. In addition, this reaction should be taken for 6 hours at the temperature of 50 °C. The other condition is irradiation.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2/N=C(\Nc1c2cc(cc1)C)C
2.InChI: InChI=1/C10H10N2O/c1-6-3-4-9-8(5-6)10(13)12-7(2)11-9/h3-5H,1-2H3,(H,11,12,13)
3.InChIKey: ZCWWTKGVCYRGQZ-UHFFFAOYAC