2,4,5-TRIMETHYLOXAZOLE

The 2,4,5-Trimethyloxazole with the CAS number 20662-84-4 is also called Oxazole,2,4,5-trimethyl-. Both the systematic name and IUPAC name are 2,4,5-trimethyl-1,3-oxazole. Its molecular formula is C₆H₉NO. The EINECS registry number is 243-952-4. This chemical belongs to the following product categories: (1)Oxazole & Isoxazole; (2)Flavor. It is clear yellow liquid. This chemical is flammable. While using this chemical, you should keep it away from sources of ignition.

The properties of the 2,4,5-Trimethyloxazole are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.93; (6)ACD/BCF (pH 7.4): 3.97; (7)ACD/KOC (pH 5.5): 92.52; (8)ACD/KOC (pH 7.4): 93.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03Ų; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 31.11 cm³; (15)Molar Volume: 114.2 cm³; (16)Polarizability: 12.33×10^-24cm³; (17)Surface Tension: 30.3 dyne/cm; (18)Enthalpy of Vaporization: 35.57 kJ/mol; (19)Vapour Pressure: 10.4 mmHg at 25°C.

Preparation: This chemical can be prepared by 2-[Bis(trimethylsilyl)amino]-3-(ethanoyloxy)-2-butene. This reaction needs reagent trimethylsilyl trifluoromethanesulfonate and solvent CHCl₃ at temperature of 25 °C. The yield is 95%.

Uses: This chemical can react with propionyl chloride to prepare 2-Ethyl-4-methyl-5-phenyloxazole. This reaction's temperature is 80 - 135 °C. The yield is 84%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(oc1C)C)C
(2)InChI: InChI=1/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
(3)InChIKey: ZRLDBDZSLLGDOX-UHFFFAOYAO