5-Acetoxy-2-pyrrolidinone

Base Information

• Chemical Name: 5-Acetoxy-2-pyrrolidinone
• CAS No.: 86976-20-7
• Molecular Formula: C6H9NO3
• Molecular Weight: 143.14100
• DSSTox Substance ID: DTXSID40518497
• Nikkaji Number: J283.688B
• Mol file: 86976-20-7.mol

Synonyms:5-acetoxy-2-pyrrolidinone;86976-20-7;2-Pyrrolidinone, 5-(acetyloxy)-;(5-oxopyrrolidin-2-yl) acetate;5-Oxopyrrolidin-2-yl acetate;SCHEMBL4777313;DTXSID40518497;AKOS006220759

Chemical Property of 5-Acetoxy-2-pyrrolidinone

Chemical Property:

• PSA: 58.89000
• LogP: 0.06150
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.058243149
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

5-(acetyloxy)-2-Pyrrolidinone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC(=O)N1

Technology Process of 5-Acetoxy-2-pyrrolidinone

There total 2 articles about 5-Acetoxy-2-pyrrolidinone 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:

5-ethoxy-pyrrolidin-2-one (39662-63-0) + acetic acid (64-19-7,77671-22-8) → 5-acetoxypyrrolidine-2-one (86976-20-7)

Guidance literature:

Yield given. Multistep reaction; 1.) RT, 24 h, 2.) reduced pressure;

Reference yield:

5-ethoxy-pyrrolidin-2-one (39662-63-0) + acetic anhydride (108-24-7) → 5-acetoxypyrrolidine-2-one (86976-20-7)

Guidance literature:

With acetic acid; at 70 ℃; for 4h; Yield given;

DOI:10.1139/v88-191

Reference yield: 94.0%

O-benzyl carbamate (621-84-1) + 5-acetoxypyrrolidine-2-one (86976-20-7) → (5-Oxo-pyrrolidin-2-yl)-carbamic acid benzyl ester (76284-17-8)

Guidance literature:

at 90 ℃; for 2h;

upstream raw materials:

5-ethoxy-pyrrolidin-2-one

acetic anhydride

acetic acid

Downstream raw materials:

(5-oxo-pyrrolidin-2-yl)-acetic acid

(5-Oxo-pyrrolidin-2-yl)-carbamic acid benzyl ester

3-(2(R)-(5-oxo-2(S)-pyrrolidinyl)(phenylthio)acetyl)-4(S)-isopropyl-1,3-thiazolidine-2-thione

3-(2(S)-(5-oxo-2(R)-pyrrolidinyl)(benzyloxy)acetyl)-4(R)-isopropyl-1,3-thiazolidine-2-thione

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