2-(2-METHOXYPHENYL)-4,4-DIMETHYL-2-OXAZOLINE

The Oxazole,4,5-dihydro-2-(2-methoxyphenyl)-4,4-dimethyl-, with the CAS registry number 57598-33-1, is also known as 1-(4,4-Dimethyl(1,3-oxazolin-2-yl))-2-methoxybenzene. It belongs to the product categories of Oxazole&Isoxazole; API intermediates; Building Blocks; Heterocyclic Building Blocks; Oxazolines/Oxazolidines. This chemical's molecular formula is C₁₂H₁₅NO₂ and molecular weight is 205.25. What's more, its IUPAC name is 2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Physical properties of Oxazole,4,5-dihydro-2-(2-methoxyphenyl)-4,4-dimethyl- are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 30.82 Å²; (7)Index of Refraction: 1.531; (8)Molar Refractivity: 58.55 cm³; (9)Molar Volume: 189.1 cm³; (10)Polarizability: 23.21×10^-24cm³; (11)Surface Tension: 34.4 dyne/cm; (12)Density: 1.08 g/cm³; (13)Flash Point: 116.6 °C; (14)Enthalpy of Vaporization: 53.04 kJ/mol; (15)Boiling Point: 311.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00103 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-2-methyl-propan-1-ol and 2-methoxy-benzonitrile when they are irradiated. This reaction will need reagent ZnCl₂·2H₂O with the reaction time of hours. The yield is about 31%.

Uses of Oxazole,4,5-dihydro-2-(2-methoxyphenyl)-4,4-dimethyl-: it can be used to produce 2-(2-isopropyl-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole. It will need solvent tetrahydrofuran. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. Do not breathe dust. What's more, You should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\OCC/1(C)C)c2c(OC)cccc2
(2)Std. InChI: InChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-6-4-5-7-10(9)14-3/h4-7H,8H2,1-3H3
(3)Std. InChIKey: ZGDUNGBWVZKWGE-UHFFFAOYSA-N