Ethyl N-Cbz-4-oxopyrrolidine-3-carboxylate supplier

Name
Ethyl N-Cbz-4-Oxopyrrolidine-3-carboxylate
EINECS
CAS No. 51814-19-8
Article Data11
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₇NO₅
Boiling Point 433.1 °C at 760 mmHg
Molecular Weight 291.304
Flash Point 215.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Benzyloxycarbonyl)-4-(ethoxycarbonyl)-3-oxopyrrolidine;
PSA 72.91000
LogP 1.32510

Ethyl N-Cbz-4-oxopyrrolidine-3-carboxylate Specification

The 1,3-Pyrrolidinedicarboxylicacid, 4-oxo-, 3-ethyl 1-(phenylmethyl) ester is an organic compound with the formula C₁₅H₁₇NO₅. The systematic name of this chemical is O1-benzyl O3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate. With the CAS registry number 51814-19-8, it is also named as 4-Oxo-pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester. The product's categories are Amino Acids and Derivatives; Carbonyl Compounds.

Physical properties about 1,3-Pyrrolidinedicarboxylicacid, 4-oxo-, 3-ethyl 1-(phenylmethyl) ester are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.47; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 72.91 Å²; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 73.16 cm³; (9)Molar Volume: 228.7 cm³; (10)Polarizability: 29×10^-24cm³; (11)Surface Tension: 52.3 dyne/cm; (12)Density: 1.273 g/cm³; (13)Flash Point: 215.8 °C; (14)Enthalpy of Vaporization: 68.9 kJ/mol; (15)Boiling Point: 433.1 °C at 760 mmHg; (16)Vapour Pressure: 1.05E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1CN(CC1=O)C(=O)OCc2ccccc2
(2)InChI: InChI=1/C15H17NO5/c1-2-20-14(18)12-8-16(9-13(12)17)15(19)21-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
(3)InChIKey: FRNZCPLVDNHRIH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H17NO5/c1-2-20-14(18)12-8-16(9-13(12)17)15(19)21-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
(5)Std. InChIKey: FRNZCPLVDNHRIH-UHFFFAOYSA-N

Product Name

Ethyl N-Cbz-4-Oxopyrrolidine-3-carboxylate

Ethyl N-Cbz-4-oxopyrrolidine-3-carboxylate Specification

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