Ethyl 2-oxopyrrolidine-1-acetate supplier

Name
ethyl 2-oxopyrrolidine-1-acetate
EINECS 262-828-0
CAS No. 61516-73-2
Article Data17
CAS DataBase
Density 1.138 g/cm³
Solubility
Melting Point 155-158℃
Formula C₈H₁₃NO₃
Boiling Point 303.6 °C at 760 mmHg
Molecular Weight 171.196
Flash Point 137.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Ethoxycarbonylmethyl)-2-pyrrolidone;Ethyl (2-oxo-1-pyrrolidinyl)acetate;Ethyl 2-oxo-1-pyrrolidineacetate;
PSA 46.61000
LogP 0.10980

Ethyl 2-oxopyrrolidine-1-acetate 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.

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

Product Name

ethyl 2-oxopyrrolidine-1-acetate

Ethyl 2-oxopyrrolidine-1-acetate Specification

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