1H-Pyrrol-3(2H)-one

Base Information

• Chemical Name: 1H-Pyrrol-3(2H)-one
• CAS No.: 5860-48-0
• Molecular Formula: C₄H₅NO
• Molecular Weight: 83.0898
• DSSTox Substance ID: DTXSID10548120
• Nikkaji Number: J1.230.464A
• Wikidata: Q82426725
• Mol file: 5860-48-0.mol

Synonyms:1H-Pyrrol-3(2H)-one;5860-48-0;pyrrolinone;1,2-Dihydro-3H-pyrrol-3-one;2,3-dihydro-1H-pyrrol-3-one;1,2-dihydropyrrol-3-one;3-hydroxy-2h-pyrrol;DTXSID10548120;HMXQIFUGFZEJEO-UHFFFAOYSA-N;AKOS006347267

Chemical Property of 1H-Pyrrol-3(2H)-one

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.037113783
• Heavy Atom Count: 6
• Complexity: 95.7

Purity/Quality:

1H-Pyrrol-3(2H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)C=CN1

Technology Process of 1H-Pyrrol-3(2H)-one

There total 3 articles about 1H-Pyrrol-3(2H)-one 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%

→ oxopyrroline (5860-48-0)

Guidance literature:

Reference yield:

chloroacetic acid ethyl ester (105-39-5) → oxopyrroline (5860-48-0)

Guidance literature:

With ammonium acetate; potassium carbonate; In acetic acid; acetone;

Reference yield:

3-hydroxy-1H-pyrrole (29212-57-5) → oxopyrroline (5860-48-0)

Guidance literature:

Equilibrium constant;

DOI:10.1016/S0040-4039(00)84773-5

upstream raw materials:

3-hydroxy-1H-pyrrole

chloroacetic acid ethyl ester

Downstream raw materials:

3-hydroxy-1H-pyrrole