Oxazole, 2,4-dimethyl- (7208-05-1)

The IUPAC name of 2,4-Dimethyloxazole is 2,4-dimethyl-1,3-oxazole. With the CAS registry number 7208-05-1, it is also named as Oxazole, 2,4-dimethyl-. The product's category is oxazole & isoxazole. Moreover, its molecular formula is C₅H₇NO and molecular weight is 97.11.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 52.37; (8)ACD/KOC (pH 7.4): 52.51; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 26.29 cm³; (15)Molar Volume: 98 cm³; (16)Polarizability: 10.42×10^-24cm³; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 34.5 °C; (20)Enthalpy of Vaporization: 33.25 kJ/mol; (21)Boiling Point: 108 °C at 760 mmHg; (22)Vapour Pressure: 30.9 mmHg at 25 °C.

Preparation of 2,4-Dimethyloxazole: this chemical can be prepared by 2-Acetyl-3-methyl-2H-isoxazol-5-one.



This reaction's pressure is 0.01 at temperature of 540 - 600 °C. The reaction time is 60 min. The yield is 95 %.

Uses of 2,4-Dimethyloxazole: it can react with 2-Vinylpyridin-hydrochloride to get 2',6'-Dimethyl-[2,3']bipyridinyl-5'-ol.



This reaction needs Butan-1-ol with reflux. The reaction time is 5-8 hours. The yield is 60 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:n1c(coc1C)C
(2)InChI:InChI=1/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3 InChIKey:PSOZJOZKEVZLKZ-UHFFFAOYAN
(3)Std. InChI:InChI=1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3
(4)Std. InChIKey:PSOZJOZKEVZLKZ-UHFFFAOYSA-N