Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3-Pyrrolidinecarboxylicacid, 2-oxo-4-phenyl-, ethyl ester

Related Products

Hot Products

Name

3-Pyrrolidinecarboxylicacid, 2-oxo-4-phenyl-, ethyl ester

EINECS N/A
CAS No. 52450-32-5 Density 1.168 g/cm3
PSA 55.40000 LogP 1.40810
Solubility N/A Melting Point N/A
Formula C13H15NO3 Boiling Point 418.3 °C at 760 mmHg
Molecular Weight 233.267 Flash Point 206.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52450-32-5 (ETHYL 2-OXO-4-PHENYL-3-PYRROLIDINECARBOXYLATE) Hazard Symbols IrritantXi
Synonyms

Ethyl 2-oxo-4-phenyl-3-pyrrolidinecarboxylate;

Article Data 12

3-Pyrrolidinecarboxylicacid, 2-oxo-4-phenyl-, ethyl ester Synthetic route

71639-13-9

diethyl 2-(3-nitrophenylethyl)malonate

52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions
ConditionsYield
With ammonium chloride; zinc In water at 60 - 65℃;80%
With hydrogen; palladium on activated charcoal In ethanol at 60℃; under 6840 - 7600 Torr; for 2.4h;3.66 g
(+-)-<2-nitro-1-phenyl-ethyl>-malonic acid diethyl ester

(+-)-<2-nitro-1-phenyl-ethyl>-malonic acid diethyl ester

52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions
ConditionsYield
With hydrogenchloride; nickel Hydrogenation;
With ethanol; nickel Hydrogenation;
(+-)--malonic acid diethyl ester

(+-)--malonic acid diethyl ester

52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions
ConditionsYield
With ethanol; nickel at 100℃; under 73550.8 Torr; Hydrogenation;
With methanol; nickel at 20℃; under 2206.5 Torr; Hydrogenation;
77519-55-2

2-oxo-4-phenylpyrrolidine-3-carboxylic acid

52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions
ConditionsYield
sulfuric acid In ethanol at 120℃; for 0.166667h;
105-53-3

diethyl malonate

52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: n-butyllithium / tetrahydrofuran / 4 h / -20 °C
2: hydrogen; palladium 10% on activated carbon / methanol / 20 - 30 °C
View Scheme
614-21-1

2-nitroacetophenone

52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: n-butyllithium / tetrahydrofuran / 4 h / -20 °C
2: hydrogen; palladium 10% on activated carbon / methanol / 20 - 30 °C
View Scheme

C15H17NO6

52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 20 - 30℃; Solvent;
52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

75-03-6

ethyl iodide

861035-62-3

3-ethyl-2-oxo-4-phenyl-pyrrolidine-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With sodium ethanolate
52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

74-88-4

methyl iodide

105909-99-7

3-methyl-2-oxo-4-phenyl-pyrrolidine-3-carboxylic acid

Conditions
ConditionsYield
With sodium methylate Erwaermen des Reaktionsprodukts mit methanol. KOH;
52450-32-5

2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

1198-97-6

4-phenylpyrrolidin-2-one

Conditions
ConditionsYield
With hydrogenchloride; ethanol; water
Multi-step reaction with 2 steps
1: ethanolic KOH
2: 175 °C
View Scheme
With sodium carbonate for 6h; Reagent/catalyst; Reflux;3.3 g

3-Pyrrolidinecarboxylicacid, 2-oxo-4-phenyl-, ethyl ester Specification

The 3-Pyrrolidinecarboxylicacid, 2-oxo-4-phenyl-, ethyl ester, with the CAS registry number of 52450-32-5, is also known as Ethyl 2-oxo-4-phenyl-3-pyrrolidinecarboxylate. It belongs to the product categories of Aromatic Esters; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines. Its molecular formula is C13H15NO3 and molecular weight is 233.26. What's more, its IUPAC name is Ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate.

Physical properties about the 3-Pyrrolidinecarboxylicacid, 2-oxo-4-phenyl-, ethyl ester are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.04; (6)ACD/BCF (pH 7.4): 2.04; (7)ACD/KOC (pH 5.5): 57.99; (8)ACD/KOC (pH 7.4): 57.99; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 61.95 cm3; (15)Molar Volume: 199.5 cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.168 g/cm3; (18)Flash Point: 206.8 °C; (19)Enthalpy of Vaporization: 67.19 kJ/mol; (20)Boiling Point: 418.3 °C at 760 mmHg; (21)Vapour Pressure: 3.3E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2NCC(c1ccccc1)C2C(=O)OCC
(2) InChI: InChI=1/C13H15NO3/c1-2-17-13(16)11-10(8-14-12(11)15)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,14,15)
(3) InChIKey: QVGUCCHRJMBKNX-UHFFFAOYAU

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 52450-32-5