4-(CHLOROMETHYL)-5-METHYL-2-PHENYL-1,3-OXAZOLE

The systematic name of Oxazole,4-(chloromethyl)-5-methyl-2-phenyl- is 4-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazole. With the CAS registry number 103788-61-0, it is also named as 5-Methyl-2-phenyl-4-(chloromethyl)oxazole. The product's category is Isoxazole Series. In addition, its molecular formula is C₁₁H₁₀ClNO and molecular weight is 207.66.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.03 Å²; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 55.826 cm³; (9)Molar Volume: 174.707 cm³; (10)Polarizability: 22.131×10^-24cm³; (11)Surface Tension: 40.841 dyne/cm; (12)Density: 1.189 g/cm³; (13)Flash Point: 159.44 °C; (14)Melting Point: 83 °C; (15)Enthalpy of Vaporization: 56.043 kJ/mol; (16)Boiling Point: 340.022 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Oxazole,4-(chloromethyl)-5-methyl-2-phenyl-: it can react with 4-Hydroxy-benzaldehyde to get 4-(5-Methyl-2-phenyl-oxazol-4-ylmethoxy)-benzaldehyde.



This reaction needs K₂CO₃ and Dimethylformamide at temperature of 80 °C for 8 hours. The yield is 86 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCc1nc(oc1C)c2ccccc2
(2)InChI: InChI=1/C11H10ClNO/c1-8-10(7-12)13-11(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
(3)InChIKey: VCTKYTBWZTZPHF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H10ClNO/c1-8-10(7-12)13-11(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
(5)Std. InChIKey: VCTKYTBWZTZPHF-UHFFFAOYSA-N