Methyl 3-oxopyrrolidine-1-carboxylate

Base Information

• Chemical Name: Methyl 3-oxopyrrolidine-1-carboxylate
• CAS No.: 69079-09-0
• Molecular Formula: C6H9NO3
• Molecular Weight: 143.14100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80497979
• Wikidata: Q82347766
• Mol file: 69079-09-0.mol

Synonyms:Methyl 3-oxopyrrolidine-1-carboxylate;69079-09-0;3-oxo-1-Pyrrolidinecarboxylic acid Methyl ester;SCHEMBL9693821;DTXSID80497979;UOTZNSARDKOPCP-UHFFFAOYSA-N;Methyl3-oxopyrrolidine-1-carboxylate;AKOS016007989;N-methoxycarbonyl-3-oxo-tetrahydropyrrole;BS-17450;CS-0150673;O11916;3-Oxo-pyrrolidine-1-carboxylic acid methyl ester

Chemical Property of Methyl 3-oxopyrrolidine-1-carboxylate

Chemical Property:

• PSA: 46.61000
• LogP: -0.03450
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.058243149
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-oxopyrrolidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1CCC(=O)C1

Technology Process of Methyl 3-oxopyrrolidine-1-carboxylate

There total 4 articles about Methyl 3-oxopyrrolidine-1-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: 93.0%

methyl 1-methoxycarbonyl-4-oxopyrrolidine-3-carboxylate (149429-27-6) → N-methoxycarbonyl-3-pyrrolidone (69079-09-0)

Guidance literature:

With hydrogenchloride; for 15h; Heating;

DOI:10.1055/s-2007-990821

Reference yield: 56.0%

N-(methoxycarbonyl)-4-(ethoxycarbonyl)-3-pyrrolidone (90644-05-6) → N-methoxycarbonyl-3-pyrrolidone (69079-09-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1080/00397919208019306

Reference yield:

N-methoxycarbonyl-2,3-dihydropyrrole (76460-88-3) → N-methoxycarbonyl-3-pyrrolidone (69079-09-0)

Guidance literature:

With toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; Yield given. Multistep reaction; 1.) toluene, RT, 10 min, 2.) toluene, reflux, 15 min;

DOI:10.1246/bcsj.67.304

upstream raw materials:

N-(methoxycarbonyl)-4-(ethoxycarbonyl)-3-pyrrolidone

N-methoxycarbonyl-2,3-dihydropyrrole

methyl 1-methoxycarbonyl-4-oxopyrrolidine-3-carboxylate

Downstream raw materials:

homo-β-proline hydrochloride