Ethyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
• CAS No.: 5733-87-9
• Molecular Formula: C14H17 N O3
• Molecular Weight: 247.29
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID20512498
• Mol file: 5733-87-9.mol

Synonyms:ETHYL 1-BENZYL-5-OXOPYRROLIDINE-3-CARBOXYLATE;5733-87-9;ETHYL1-BENZYL-5-OXOPYRROLIDINE-3-CARBOXYLATE;DTXSID20512498;AKOS005132886;FT-0714848;A831399

Chemical Property of Ethyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 7.44E-07mmHg at 25°C
• Boiling Point: 407.6°C at 760 mmHg
• PKA: -1.73±0.40(Predicted)
• Flash Point: 200.3°C
• PSA: 46.61000
• Density: 1.184g/cm³
• LogP: 1.53610
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 247.12084340
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl1-benzyl-5-oxopyrrolidine-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2

Technology Process of Ethyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

There total 3 articles about Ethyl 1-benzyl-5-oxopyrrolidine-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:

diethylitaconate (2409-52-1) + benzylamine (100-46-9) → 1-benzyl-3-(ethoxycarbonyl)-5-pyrrolidinone (5733-87-9)

Guidance literature:

In ethanol; Reflux;

DOI:10.1016/j.bmc.2021.116553

Reference yield:

→ 1-benzyl-3-(ethoxycarbonyl)-5-pyrrolidinone (5733-87-9)

Guidance literature:

With hydrogenchloride; Erhitzen des Reaktionsprodukts unter vermindertem Druck;

Reference yield:

→ 1-benzyl-3-(ethoxycarbonyl)-5-pyrrolidinone (5733-87-9)

Guidance literature:

1-Benzyl-3-carboxy-pyrrolidon-(5), 20percentig. Lsg. v. HCl in A. (Kochen, 3h);

DOI:10.1021/jo01064a051

upstream raw materials:

diethylitaconate

benzylamine

Downstream raw materials:

1-benzyl-3-carboethoxypyrrolidine

1-(Phenylmethyl)-3-pyrrolidinemethanol

pyrrolidin-3-ylmethanol

ethyl pyrrolidine-3-carboxylate hydrochloride

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