1-[4-(Trifluoromethyl)phenyl]-2-pyrrolidinone

Base Information

• Chemical Name: 1-[4-(Trifluoromethyl)phenyl]-2-pyrrolidinone
• CAS No.: 188622-31-3
• Molecular Formula: C11H10F3NO
• Molecular Weight: 229.202
• DSSTox Substance ID: DTXSID40993841
• Nikkaji Number: J1.052.759G
• Wikidata: Q82984609
• Mol file: 188622-31-3.mol

Synonyms:1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone;188622-31-3;1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-(4-(Trifluoromethyl)phenyl)pyrrolidin-2-one;1-(4-Trifluoromethylphenyl)-2-pyrrolidinone;2-Pyrrolidinone, 1-[4-(trifluoromethyl)phenyl]-;Bionet2_001430;SCHEMBL3824793;DTXSID40993841;HMS1368A22;MFCD00138491;AKOS015853036;FT-0676512;1-(4-trifluoromethyl-phenyl)-pyrrolidin-2-one;7C-131;F13217;1-[4-(Trifluoromethyl)phenyl]pyrrolidine-2-one;1-[4-(Trifluoromethyl)phenyl]-2-pyrrolidinone, AldrichCPR

Chemical Property of 1-[4-(Trifluoromethyl)phenyl]-2-pyrrolidinone

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 229.07144843
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(Trifluoromethyl)phenyl]-2-pyrrolidinone

There total 4 articles about 1-[4-(Trifluoromethyl)phenyl]-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: 90.0%

2-pyrrolidinon (616-45-5) + p-trifluoromethylphenyl bromide (402-43-7) → 1-(4-(trifluoromethyl)phenyl)pyrrolidin-2-one (188622-31-3)

Guidance literature:

With 1,1'-bis(diphenylphosphino)ferrocene; sodium t-butanolate; palladium diacetate; In toluene; at 120 ℃; for 16h;

DOI:10.1016/S0040-4039(99)00086-6

Reference yield: 89.0%

2-pyrrolidinon (616-45-5) + 4-Iodobenzotrifluoride (455-13-0) → 1-(4-(trifluoromethyl)phenyl)pyrrolidin-2-one (188622-31-3)

Guidance literature:

With potassium phosphate; copper(l) iodide; N-Methyl-L-proline Methyl Ester; In dimethyl sulfoxide; at 110 ℃; for 5h; Inert atmosphere;

DOI:10.3390/molecules15031154

Reference yield: 54.0%

4-trifluoromethylphenylamine (455-14-1) + Butane-1,4-diol (110-63-4) → 1-(4-(trifluoromethyl)phenyl)pyrrolidin-2-one (188622-31-3)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; C₃₂H₃₄N₃P₂⁽¹⁺⁾*Cl^(1-); caesium carbonate; at 140 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c9cc06339k

upstream raw materials:

2-pyrrolidinon

p-trifluoromethylphenyl bromide

4-Iodobenzotrifluoride

4-trifluoromethylphenylamine

Downstream raw materials:

1-(4(-trifluoromethyl)phenyl)pyrrolidine