2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-

Base Information

• Chemical Name: 2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-
• CAS No.: 60736-96-1
• Molecular Formula: C11H12FNO
• Molecular Weight: 193.2175
• DSSTox Substance ID: DTXSID40209555
• Nikkaji Number: J579.602D
• Wikidata: Q83083884
• Mol file: 60736-96-1.mol

Synonyms:1-(p-Fluorobenzyl)-2-pyrrolidinone;2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-;60736-96-1;1-((4-Fluorophenyl)methyl)-2-pyrrolidinone;C11H12FNO;1-p-fluorobenzyl-pyrrolidin-2-one;SCHEMBL5578262;DTXSID40209555;KZKRGOSWLGSOEZ-UHFFFAOYSA-N;1-(4-fluorobenzyl)-2-pyrrolidone;C11-H12-F-N-O;1-(4-Fluorobenzyl)pyrrolidin-2-one;LS-138820

Chemical Property of 2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-

Chemical Property:

• Vapor Pressure: 5E-05mmHg at 25°C
• Boiling Point: 348.5°Cat760mmHg
• Flash Point: 164.6°C
• Density: 1.216g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.090292168
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)CC2=CC=C(C=C2)F

Technology Process of 2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-

There total 5 articles about 2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)- 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: 83.0%

→ 1-p-fluorobenzyl-pyrrolidin-2-one (60736-96-1)

Guidance literature:

Reference yield: 82.0%

4-fluorobenzaldehyde (459-57-4) + 4-amino-n-butyric acid (56-12-2) → 1-p-fluorobenzyl-pyrrolidin-2-one (60736-96-1)

Guidance literature:

With phenylsilane; In ethanol; at 40 ℃; for 18h; Schlenk technique;

DOI:10.1002/ejoc.202100719

Reference yield: 74.8%

2(3H)-furanone (20825-71-2) + para-fluorobenzylamine (140-75-0) → 1-p-fluorobenzyl-pyrrolidin-2-one (60736-96-1)

Guidance literature:

With hydroquinone; mercury;

upstream raw materials:

2-pyrrolidinon

4-Fluorobenzyl bromide

2(3H)-furanone

para-fluorobenzylamine

Downstream raw materials:

(E)-1-(4-fluorobenzyl)-2-(nitromethylene)pyrrolidine