(+-)-1-((4-Fluorophenyl)methyl)-5-(octyloxy)-2-pyrrolidinone

Base Information

• Chemical Name: (+-)-1-((4-Fluorophenyl)methyl)-5-(octyloxy)-2-pyrrolidinone
• CAS No.: 136410-42-9
• Molecular Formula: C19H28FNO2
• Molecular Weight: 321.4295
• DSSTox Substance ID: DTXSID40929428
• Nikkaji Number: J423.563K
• Mol file: 136410-42-9.mol

Synonyms:BRN 4757525;(+-)-1-((4-Fluorophenyl)methyl)-5-(octyloxy)-2-pyrrolidinone;2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-;136410-42-9;SCHEMBL9820710;DTXSID40929428;LS-138826;5-(Octyloxy)-1-[4-fluorobenzyl]pyrrolidin-2-one;1-[(4-FLUOROPHENYL)METHYL]-5-(OCTYLOXY)PYRROLIDIN-2-ONE

Chemical Property of (+-)-1-((4-Fluorophenyl)methyl)-5-(octyloxy)-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 1.75E-08mmHg at 25°C
• Boiling Point: 455.5°Cat760mmHg
• Flash Point: 229.3°C
• Density: 1.07g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 321.21040730
• Heavy Atom Count: 23
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1CCC(=O)N1CC2=CC=C(C=C2)F

Technology Process of (+-)-1-((4-Fluorophenyl)methyl)-5-(octyloxy)-2-pyrrolidinone

There total 2 articles about (+-)-1-((4-Fluorophenyl)methyl)-5-(octyloxy)-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: 70.0%

5-n-octyloxy-pyrrolidin-2-one (119984-38-2) + 4-Fluorobenzyl bromide (459-46-1) → 1-(4-Fluoro-benzyl)-5-octyloxy-pyrrolidin-2-one (119984-53-1,136410-42-9)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1016/0223-5234(91)90102-S

Reference yield:

octanol (111-87-5) → 1-(4-Fluoro-benzyl)-5-octyloxy-pyrrolidin-2-one (119984-53-1,136410-42-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 35 percent / Amberlite IR-120 (H⁺ form) / 4 h / 60 °C

2: 70 percent / KOH, tetrabutylammonium bromide / tetrahydrofuran / 2 h / Ambient temperature

With potassium hydroxide; Amberlite IR-120 (H⁺ form); tetrabutylammomium bromide; In tetrahydrofuran;

DOI:10.1016/0223-5234(91)90102-S

upstream raw materials:

5-n-octyloxy-pyrrolidin-2-one

4-Fluorobenzyl bromide

octanol