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| CAS No.: | 1432-43-5 |
|---|---|
| Name: | 3-Acetyl-2-oxazolidinone |
| Molecular Structure: | |
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| Formula: | C5H7NO3 |
| Molecular Weight: | 129.115 |
| Synonyms: | 3-Acetyl-2-oxazolidinone;3-Acetyl-2-oxazolidone;N-Acetyl-2-oxazolidinone; |
| Density: | 1.309g/cm3 |
| Melting Point: | 69-71 °C(lit.) |
| Boiling Point: | 282 °C at 760 mmHg |
| Flash Point: | 118.4 °C |
| PSA: | 46.61000 |
| LogP: | -0.07700 |
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Specification
The 3-Acetyl-2-oxazolidinone, with CAS registry number 1432-43-5, belongs to the following product categories: (1)API intermediates; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Oxazolines/Oxazolidines. It has the systematic name of 3-acetyl-1,3-oxazolidin-2-one. And the chemical formula of this chemical is C5H7NO3.
Physical properties of 3-Acetyl-2-oxazolidinone: (1)ACD/LogP: -1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.13; (8)ACD/KOC (pH 7.4): 3.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 28.34 cm3; (15)Molar Volume: 98.5 cm3; (16)Polarizability: 11.23×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Enthalpy of Vaporization: 52.09 kJ/mol; (19)Vapour Pressure: 0.00344 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-acetylamino-ethanol and carbon monoxide. This reaction will need reagents PdCl2, NaOAc and solvent 1,2-dimethoxy-ethane. The yield is about 91%.
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Uses of 3-Acetyl-2-oxazolidinone: it can be used to produce 3,3'-succinyl-bis-oxazolidin-2-one. This reaction will need reagents LHMDS, benzene and solvent tetrahydrofuran. The reaction time is 0.5 hour(s) with reaction temperature of -78 - 0 ℃. The yield is about 80%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCN1C(=O)C
(2)InChI: InChI=1/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
(3)InChIKey: COCHMAAUXSQMED-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
(5)Std. InChIKey: COCHMAAUXSQMED-UHFFFAOYSA-N