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| CAS No.: | 61516-73-2 |
|---|---|
| Name: | ethyl 2-oxopyrrolidine-1-acetate |
| Molecular Structure: | |
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| Formula: | C8H13NO3 |
| Molecular Weight: | 171.196 |
| Synonyms: | 1-(Ethoxycarbonylmethyl)-2-pyrrolidone;Ethyl (2-oxo-1-pyrrolidinyl)acetate;Ethyl 2-oxo-1-pyrrolidineacetate; |
| EINECS: | 262-828-0 |
| Density: | 1.138 g/cm3 |
| Melting Point: | 155-158℃ |
| Boiling Point: | 303.6 °C at 760 mmHg |
| Flash Point: | 137.4 °C |
| PSA: | 46.61000 |
| LogP: | 0.10980 |
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Specification
This chemical is called Ethyl 2-oxopyrrolidine-1-acetate, and its CAS registry number is 61516-73-2. With the molecular formula of C8H13NO3, its molecular weight is 171.19.
Other characteristics of the Ethyl 2-oxopyrrolidine-1-acetate can be summarised as followings: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.92; (8)ACD/KOC (pH 7.4): 31.92; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 42.51 cm3; (15)Molar Volume: 150.3 cm3; (16)Polarizability: 16.85×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 54.39 kJ/mol; (21)Boiling Point: 303.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000919 mmHg at 25°C.
Uses of this chemical: The Ethyl 2-oxopyrrolidine-1-acetate could react with piperidine, and obtain the N-Piperidinocarbonylmethylbutyrolactam. This reaction needs the reagent of Na. The yield is 42 %. In addition, this reaction should be taken for 3 hours at the temperature of 120 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C1N(CC(=O)OCC)CCC1
2.InChI: InChI=1/C8H13NO3/c1-2-12-8(11)6-9-5-3-4-7(9)10/h2-6H2,1H3
3.InChIKey: AQZWKPDVWWJWRY-UHFFFAOYAV