5(4H)-Oxazolone,4-(1-methylethyl)-2-phenyl- supplier

Name
4-ISOPROPYL-2-PHENYL-2-OXAZOLINE-5-ONE
EINECS
CAS No. 5839-93-0
Article Data37
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point 41-45 °C
Formula C₁₂H₁₃NO₂
Boiling Point 281.9 °C at 760 mmHg
Molecular Weight 203.241
Flash Point 117.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxazolin-5-one,4-isopropyl-2-phenyl- (6CI,8CI);4-Isopropyl-2-phenyl-2-oxazolin-5-one;NSC364043;Valine, N-benzoyl-, azlactone;
PSA 38.66000
LogP 1.45020

5(4H)-Oxazolone,4-(1-methylethyl)-2-phenyl- Specification

The 5(4H)-Oxazolone, 4-(1-methylethyl)-2-phenyl-, with the CAS registry number of 5839-93-0, is also known as 4-Isopropyl-2-phenyl-1, 3-oxazol-5(4H)-one. This chemical's molecular formula is C₁₂H₁₃NO₂ and molecular weight is 203.24. What's more, its IUPAC name is 2-Phenyl-4-propan-2-yl-4H-1, 3-oxazol-5-one.

Physical properties about 5(4H)-Oxazolone, 4-(1-methylethyl)-2-phenyl- are: (1)ACD/LogP: 2.38; (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: 38.66 Å²; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 57.67 cm³; (9)Molar Volume: 175.4 cm³; (10)Surface Tension: 38.6 dyne/cm; (11)Density: 1.15 g/cm³; (12)Flash Point: 117.9 °C; (13)Enthalpy of Vaporization: 52.08 kJ/mol; (14)Boiling Point: 281.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00346 mmHg at 25 °C.

Preparation: this chemical is prepared by N-Benzoyl-valine. This reaction needs reagents N-Methylmorpholine and Ethyl chloroformate. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 30 minutes with reaction temperature of 20 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce Benzoyl-isobutyryl-amine. The reaction needs reagent Potassium tert-butoxide and solvent Dimethylsulfoxide. The reaction time is 2 hours with reaction temperature of 0 °C. The yield is about 90 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1O\C(=N/C1C(C)C)c2ccccc2
(2) InChI: InChI=1/C12H13NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-8,10H,1-2H3
(3) InChIKey: KSSKJTXJMKNHPG-UHFFFAOYAW

Product Name

4-ISOPROPYL-2-PHENYL-2-OXAZOLINE-5-ONE

5(4H)-Oxazolone,4-(1-methylethyl)-2-phenyl- Specification

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