Methyl 1-(2-ethoxy-2-oxoethyl)pyrrolidine-3-carboxylate

Base Information

• Chemical Name: Methyl 1-(2-ethoxy-2-oxoethyl)pyrrolidine-3-carboxylate
• CAS No.: 142483-57-6
• Molecular Formula: C10H17NO4
• Molecular Weight: 215.249
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50576503
• Mol file: 142483-57-6.mol

Synonyms:142483-57-6;Methyl 1-(2-ethoxy-2-oxoethyl)pyrrolidine-3-carboxylate;3-(methoxycarbonyl)-1-pyrrolidineacetic acid ethyl ester;SCHEMBL9215253;DTXSID50576503;Methyl1-(2-ethoxy-2-oxoethyl)pyrrolidine-3-carboxylate

Chemical Property of Methyl 1-(2-ethoxy-2-oxoethyl)pyrrolidine-3-carboxylate

Chemical Property:

• Boiling Point: 273℃
• Flash Point: 119℃
• PSA: 55.84000
• Density: 1.124
• LogP: -0.01770
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 215.11575802
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

98.5% ^*data from raw suppliers

Methyl1-(2-ethoxy-2-oxoethyl)pyrrolidine-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1CCC(C1)C(=O)OC

Technology Process of Methyl 1-(2-ethoxy-2-oxoethyl)pyrrolidine-3-carboxylate

There total 1 articles about Methyl 1-(2-ethoxy-2-oxoethyl)pyrrolidine-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:

1-benzylpyrrolidine-3-carboxylic acid methyl ester (17012-21-4) + ethyl bromoacetate (105-36-2) → 1-<(ethoxycarbonyl)methyl>-3-(methoxycarbonyl)pyrrolidine (142483-57-6)

Guidance literature:

With hydrogen; potassium carbonate; acetic acid; palladium on activated charcoal; Yield given. Multistep reaction; 1.) EtOH, reflux, 6 h, 2.) EtOH;

DOI:10.1021/jm00091a007

Reference yield: 36.0%

1-<(ethoxycarbonyl)methyl>-3-(methoxycarbonyl)pyrrolidine (142483-57-6) → 1-azabicyclo[2.2.1]heptan-3-one (21472-89-9)

Guidance literature:

With potassium tert-butylate; In toluene; for 2h; Heating;

DOI:10.1021/jm00091a007

Reference yield:

1-<(ethoxycarbonyl)methyl>-3-(methoxycarbonyl)pyrrolidine (142483-57-6) → endo-3-hydroxy-1-azabicyclo<2.2.1>heptane (21473-16-5,21473-18-7,138741-10-3,141952-14-9,142034-92-2,142034-93-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 36 percent / potassium tert-butoxide / toluene / 2 h / Heating

2: 85 percent / H₂ / PtO₂ / ethanol / 5 h / Ambient temperature

With potassium tert-butylate; hydrogen; platinum(IV) oxide; In ethanol; toluene;

DOI:10.1021/jm00091a007

upstream raw materials:

1-benzylpyrrolidine-3-carboxylic acid methyl ester

ethyl bromoacetate

Downstream raw materials:

1-azabicyclo[2.2.1]heptan-3-one

endo-3-hydroxy-1-azabicyclo<2.2.1>heptane