Products Categories
CAS No.: | 52450-32-5 |
---|---|
Name: | ETHYL 2-OXO-4-PHENYL-3-PYRROLIDINECARBOXYLATE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C13H15NO3 |
Molecular Weight: | 233.267 |
Synonyms: | Ethyl 2-oxo-4-phenyl-3-pyrrolidinecarboxylate; |
Density: | 1.168 g/cm3 |
Boiling Point: | 418.3 °C at 760 mmHg |
Flash Point: | 206.8 °C |
Hazard Symbols: | Xi |
PSA: | 55.40000 |
LogP: | 1.40810 |
diethyl 2-(3-nitrophenylethyl)malonate
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
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-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
Conditions | Yield |
---|---|
With hydrogenchloride; nickel Hydrogenation; | |
With ethanol; nickel Hydrogenation; |
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
Conditions | Yield |
---|---|
With ethanol; nickel at 100℃; under 73550.8 Torr; Hydrogenation; | |
With methanol; nickel at 20℃; under 2206.5 Torr; Hydrogenation; |
2-oxo-4-phenylpyrrolidine-3-carboxylic acid
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
Conditions | Yield |
---|---|
sulfuric acid In ethanol at 120℃; for 0.166667h; |
diethyl malonate
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
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 |
2-nitroacetophenone
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
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 |
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol at 20 - 30℃; Solvent; |
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
ethyl iodide
3-ethyl-2-oxo-4-phenyl-pyrrolidine-3-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With sodium ethanolate |
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
methyl iodide
3-methyl-2-oxo-4-phenyl-pyrrolidine-3-carboxylic acid
Conditions | Yield |
---|---|
With sodium methylate Erwaermen des Reaktionsprodukts mit methanol. KOH; |
2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine
4-phenylpyrrolidin-2-one
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 |
What can I do for you?
Get Best Price
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