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

Name
ETHYL 2-OXO-4-PHENYL-3-PYRROLIDINECARBOXYLATE
EINECS
CAS No. 52450-32-5
Article Data12
CAS DataBase
Density 1.168 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅NO₃
Boiling Point 418.3 °C at 760 mmHg
Molecular Weight 233.267
Flash Point 206.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl 2-oxo-4-phenyl-3-pyrrolidinecarboxylate;
PSA 55.40000
LogP 1.40810

Synthetic route

: 71639-13-9
diethyl 2-(3-nitrophenylethyl)malonate

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
sulfuric acid In ethanol at 120℃; for 0.166667h;

: 105-53-3
diethyl malonate

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

: 77519-55-2
2-oxo-4-phenylpyrrolidine-3-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide
Stage #1: 2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine With water; sodium hydroxide In methanol at 20℃; for 13h; Stage #2: With hydrogenchloride In methanol; water

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

: 1078-21-3
4-amino-3-phenylbutanoic acid

Conditions

Conditions	Yield
With hydrogenchloride

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

: 3-ethyl-4-phenyl-pyrrolidine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: ethanolic sodium ethylate 2: methanol. KOH 3: unter vermindertem Druck 4: butyl alcohol; sodium View Scheme

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

: 858274-65-4
3-ethyl-4-phenyl-pyrrolidin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethanolic sodium ethylate 2: methanol. KOH 3: unter vermindertem Druck View Scheme

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

: 861035-64-5
3-ethyl-2-oxo-4-phenyl-pyrrolidine-3-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanolic sodium ethylate 2: methanol. KOH View Scheme

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

: 2-oxo-4-phenyl-3-pyrrolidinecarboxylic acid N'-[1-(3-bromo-phenyl)-ethyl]-hydrazide

Conditions

Conditions	Yield
With sodium cyanoborohydride In ethanol; acetic acid at 20℃; for 2h;

: 52450-32-5
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine

: 331417-35-7
2-oxo-4-phenylpyrrolidine-3-carbocylic acid hydrazide

Conditions

Conditions	Yield
With hydrazine In ethanol at 120℃; for 0.333333h;

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

Product Name

ETHYL 2-OXO-4-PHENYL-3-PYRROLIDINECARBOXYLATE

Synthetic route

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

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