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5-Oxazolol,4-methyl-2-phenyl-

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Name

5-Oxazolol,4-methyl-2-phenyl-

EINECS N/A
CAS No. 90361-55-0 Density 1.21 g/cm3
PSA 38.66000 LogP 0.81410
Solubility N/A Melting Point N/A
Formula C10H9NO2 Boiling Point 254.9 °C at 760 mmHg
Molecular Weight 175.187 Flash Point 114.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 90361-55-0 (4-METHYL-2-PHENYL-2-OXAZOLINE-5-ONE) Hazard Symbols N/A
Synonyms

4-Methyl-2-phenyl-4H-oxazol-5-on;

 

5-Oxazolol,4-methyl-2-phenyl- Specification

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

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