1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

Base Information

• Chemical Name: 1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
• CAS No.: 51814-19-8
• Molecular Formula: C15H17NO5
• Molecular Weight: 291.304
• Hs Code.: 2933990090
• European Community (EC) Number: 867-377-9
• DSSTox Substance ID: DTXSID50567416
• Nikkaji Number: J1.345.901K
• Mol file: 51814-19-8.mol

Synonyms:51814-19-8;1-BENZYL 3-ETHYL 4-OXOPYRROLIDINE-1,3-DICARBOXYLATE;ETHYL N-CBZ-4-OXOPYRROLIDINE-3-CARBOXYLATE;1-O-benzyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate;Ethyl 1-N-Cbz-4-oxo-pyrrolidine-3-carboxylate;4-Oxo-pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester;MFCD09878816;Ethyl 1-Cbz-4-oxopyrrolidine-3-carboxylate;1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 3-ethyl 1-(phenylmethyl) ester;SCHEMBL3185364;DTXSID50567416;FRNZCPLVDNHRIH-UHFFFAOYSA-N;AMY20511;AKOS015855351;CS-W003680;GS-3780;PB34472;SY003382;A7630;Ethyl 1-N-Cbz-4-Oxopyrrolidine-3-Carboxylate;N-benzyloxycarbonyl-4-ethoxycarbonylpyrrolidin-3-one;1-benzyl-3-ethyl-4-oxopyrrolidine-1,3-dicarboxylate;1-Benzyloxycarbonyl-4-ethoxycarbonyl-3-oxopyrrolidine;Ethyl 1-benzyloxycarbonyl-4-oxopyrrolidine-3-carboxylate;1-Benzyl 3-ethyl 4-oxopyrrolidine-1 pound not3-dicarboxylate

Chemical Property of 1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 1.05E-07mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 433.1 °C at 760 mmHg
• PKA: 11.17±0.20(Predicted)
• Flash Point: 215.8 °C
• PSA: 72.91000
• Density: 1.274 g/cm³
• LogP: 1.32510
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 291.11067264
• Heavy Atom Count: 21
• Complexity: 403

Purity/Quality:

99% ^*data from raw suppliers

EthylN-Cbz-4-oxopyrrolidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CN(CC1=O)C(=O)OCC2=CC=CC=C2

Technology Process of 1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

There total 7 articles about 1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

ethyl 2-(benzyloxycarbonylamino)ethanoate (1145-81-9) + ethyl acrylate (140-88-5,9003-32-1) → 1-Benzyloxycarbonyl-4-ethoxycarbonyl-3-oxopyrrolidine (51814-19-8)

Guidance literature:

With sodium; In toluene;

DOI:10.1039/c39920001767

Reference yield: 72.0%

ethyl N-benzoxycarbonyl-N-(2-ethoxcarbonylethyl)glycinate (51814-17-6) → 1-Benzyloxycarbonyl-4-ethoxycarbonyl-3-oxopyrrolidine (51814-19-8)

Guidance literature:

ethyl N-benzoxycarbonyl-N-(2-ethoxcarbonylethyl)glycinate; With sodium ethanolate; In ethanol; for 2h; Heating / reflux;

With hydrogenchloride; water; at 0 ℃;

Reference yield:

C16H21NO6 (1245646-09-6) → 1-Benzyloxycarbonyl-4-ethoxycarbonyl-3-oxopyrrolidine (51814-19-8)

Guidance literature:

With potassium tert-butylate; In cyclohexane; at 0 - 25 ℃;

upstream raw materials:

ethyl 2-(benzyloxycarbonylamino)ethanoate

ethyl acrylate

ethyl N-benzoxycarbonyl-N-(2-ethoxcarbonylethyl)glycinate

benzyl chloroformate

Downstream raw materials:

4-Hydroxy-pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester

1-benzyloxycarbonyl-3-methyl-4-oxopyrrolidine-3-carboxylic acid ethyl ester

2-benzyl-4-aminomethyl-4,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane

2-Benzyl-4-hydroxymethyl-4,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane