Ethyl 1-benzylpyrrolidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 1-benzylpyrrolidine-3-carboxylate
• CAS No.: 5747-92-2
• Molecular Formula: C14H19NO2
• Molecular Weight: 233.31
• Hs Code.: 2933990090
• European Community (EC) Number: 804-148-4
• DSSTox Substance ID: DTXSID60973004
• Nikkaji Number: J47.076G
• Mol file: 5747-92-2.mol

Synonyms:Ethyl 1-benzylpyrrolidine-3-carboxylate;5747-92-2;1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester;Ethyl 1-benzyl-pyrrolidine-3-carboxylate;MFCD04039852;3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-, ethyl ester;1-benzylpyrrolidine-3-carboxylic acid ethyl ester;ethyl1-benzylpyrrolidine-3-carboxylate;SCHEMBL1545229;1-benzyl-3-carboethoxypyrrolidine;DTXSID60973004;CYPXEPWPTXKUPL-UHFFFAOYSA-N;AKOS015843412;AB17393;AC-1442;CS-W001598;DS-0693;ethyl-N-benzyl-3-pyrrolidine carboxylate;SY005553;N-BENZYL-3-ETHOXYCARBONYLPYRROLIDINE;A8193;AM20040751;FT-0635833;EN300-73332;(+/-) Ethyl N-benzyl-3-pyrrolidinylcarboxylate;N-Benzyl Pyrrolidine-3-carboxylic acid ethyl ester;J-520526;Ethyl 1-benzyl-pyrrolidine-3-carboxylate, AldrichCPR

Chemical Property of Ethyl 1-benzylpyrrolidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 308.887 °C at 760 mmHg
• PKA: 8.43±0.40(Predicted)
• Flash Point: 107.442 °C
• PSA: 29.54000
• Density: 1.099 g/cm³
• LogP: 2.00950
• Storage Temp.: Room temperature.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 1-benzylpyrrolidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCN(C1)CC2=CC=CC=C2
• Uses: Ethyl 1-benzylpyrrolidine-3-carboxylate

Technology Process of Ethyl 1-benzylpyrrolidine-3-carboxylate

There total 16 articles about Ethyl 1-benzylpyrrolidine-3-carboxylate 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: 95.0%

N-benzyl-1-(trimethylsilyl)-N-((trimethylsilyl)methyl)methanamine (144964-17-0) + ethyl acrylate (140-88-5,9003-32-1) → 1-benzyl-3-carboethoxypyrrolidine (5747-92-2)

Guidance literature:

With silver fluoride; In acetonitrile; for 0.333333h;

Reference yield: 92.0%

N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine (93102-05-7) + ethyl acrylate (140-88-5,9003-32-1) → 1-benzyl-3-carboethoxypyrrolidine (5747-92-2)

Guidance literature:

With tris(pentafluorophenyl)borate; In dichloromethane; for 1.5h;

DOI:10.1055/s-2006-942501

Reference yield: 80.0%

N-benzyl-N-(butyloxymethyl)trimethylsilylmethylamine (93102-06-8) + ethyl acrylate (140-88-5,9003-32-1) → 1-benzyl-3-carboethoxypyrrolidine (5747-92-2)

Guidance literature:

With cesium fluoride; trimethylsilyl iodide; In acetonitrile; at 50 ℃; for 24h;

DOI:10.1246/cl.1984.1117

upstream raw materials:

1-benzyl-3-(ethoxycarbonyl)-5-pyrrolidinone

formaldehyd

N-benzylglycine

ethyl acrylate

Downstream raw materials:

3-ethoxycarbonyl-pyrrolidine

1-benzylpyrrole-3-carboxylic acid ethyl ester

ethyl pyrrolidine-3-carboxylate hydrochloride

N-benzyloxycarbonylpyrrolidine-3-carboxylic acid ethyl ester