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CAS No.: | 90361-55-0 |
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Name: | 4-METHYL-2-PHENYL-2-OXAZOLINE-5-ONE |
Molecular Structure: | |
Formula: | C10H9NO2 |
Molecular Weight: | 175.187 |
Synonyms: | 4-Methyl-2-phenyl-4H-oxazol-5-on; |
Density: | 1.21 g/cm3 |
Boiling Point: | 254.9 °C at 760 mmHg |
Flash Point: | 114.5 °C |
PSA: | 38.66000 |
LogP: | 0.81410 |
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The 5-Oxazolol,4-methyl-2-phenyl-, with the CAS registry number 90361-55-0, is also known as 4-Methyl-2-phenyl-4H-oxazol-5-on. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.18. Its Systematic name is called 4-methyl-2-phenyl-1,3-oxazol-5(4H)-one.
Physical properties of 5-Oxazolol,4-methyl-2-phenyl-: (1)ACD/LogP: 1.50; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.59; (5)Molar Refractivity: 48.64 cm3; (6)Molar Volume: 144 cm3; (7)Surface Tension: 42.5 dyne/cm; (8)Density: 1.21 g/cm3; (9)Flash Point: 114.5 °C; (10)Enthalpy of Vaporization: 49.24 kJ/mol; (11)Boiling Point: 254.9 °C at 760 mmHg; (12)Vapour Pressure: 0.0168 mmHg at 25°C.
Preparation: this chemical can be prepared by N-benzoyl-alanine. This reaction will need reagent DCC and solvent tetrahydrofuran. The reaction time is min with reaction temperature of 0 °C. The yield is about 95%.
Uses of 5-Oxazolol,4-methyl-2-phenyl-: it can be used to produce (4-methyl-5-oxo-2-phenyl-4,5-dihydro-oxazol-4-yl)-acetic acid ethyl ester at temperature of 90 °C. It will need reagent EtiPr2N, KI and solvent dimethylformamide with reaction time of 6 hours.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O\C(=N/C1C)c2ccccc2
(2)InChI: InChI=1/C10H9NO2/c1-7-10(12)13-9(11-7)8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: HHPTWKXNGPGQJH-UHFFFAOYAQ