2-(2-oxopyrrolidin-1-yl)butanoic Acid

Base Information

• Chemical Name: 2-(2-oxopyrrolidin-1-yl)butanoic Acid
• CAS No.: 67118-31-4
• Deprecated CAS: 93980-38-2
• Molecular Formula: C8H13NO3
• Molecular Weight: 171.196
• Hs Code.: 2933790090
• UNII: T5GZ0UL12V
• Wikidata: Q27289698
• Mol file: 67118-31-4.mol

Synonyms:1-ethyl-2-oxo-1-pyrrolidine acetic acid;2-(2-oxopyrrolidin-1-yl)butanoic acid;2-pyrrilidone-N-butyric acid;Imp-2 cpd

Chemical Property of 2-(2-oxopyrrolidin-1-yl)butanoic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 155-158 °C
• Refractive Index: 1.517
• Boiling Point: 370.975 °C at 760 mmHg
• PKA: 3.76±0.10(Predicted)
• Flash Point: 178.16 °C
• PSA: 57.61000
• Density: 1.227 g/cm³
• LogP: 0.40990
• Storage Temp.: 2-8°C
• Solubility.: Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.08954328
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

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

Etiracetam Carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)N1CCCC1=O
• Uses: Etiracetam Carboxylic Acid (Levetiracetam EP Impurity A) is an Etiracetam (E932970) intermediate and a metabolite. Etiracetam (E932970) intermediate.

Technology Process of 2-(2-oxopyrrolidin-1-yl)butanoic Acid

There total 1 articles about 2-(2-oxopyrrolidin-1-yl)butanoic Acid 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: 91.0%

ethyl 2-(2-oxo-1-pyrrolidinyl)butyrate (86815-10-3) → α-ethyl-2-oxo-1-pyrrolidineacetic acid, (67118-31-4)

Guidance literature:

With potassium hydroxide; In ethanol; for 1.16667h; Heating;

Reference yield: 98.2%

(R)-1-phenyl-ethyl-amine (3886-69-9) + α-ethyl-2-oxo-1-pyrrolidineacetic acid, (67118-31-4) → (S)-α-ethyl-2-oxo-1-pyrrolidineacetic acid (R)-α-methylbenzylamine salt (102916-46-1)

Guidance literature:

With triethylamine; In toluene; at 80 - 90 ℃;

Reference yield: 90.1%

ethanol (64-17-5) + α-ethyl-2-oxo-1-pyrrolidineacetic acid, (67118-31-4) → ethyl 2-(2-oxo-1-pyrrolidinyl)butyrate (86815-10-3)

Guidance literature:

With sulfuric acid; at 78 - 80 ℃; for 2h;

upstream raw materials:

ethyl 2-(2-oxo-1-pyrrolidinyl)butyrate

Downstream raw materials:

N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butyramide

(αS,3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl 2-(2-oxopyrrolidin-1-yl)butyrate

(αR,3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl 2-(2-oxopyrrolidin-1-yl)butyrate

α-ethyl-2-oxo-1-pyrrolidineacetamide

Refernces

• 1、 Valenta, Vladimir,Sindelar, Karel,Holubek, Jiri,Ryska, Miroslav. "POTENTIAL NOOTROPIC AGENTS: SYNTHESIS OF A SERIES OF (2-OXO-1-PYRROLIDINYL)ACETIC ACID PIPERAZIDES". . p. 1613 - 1629. Retrieved 2007/10/02.