4-(trifluoroMethyl)-2-Pyrrolidinone

Base Information

• Chemical Name: 4-(trifluoroMethyl)-2-Pyrrolidinone
• CAS No.: 664304-83-0
• Molecular Formula: C5H6F3NO
• Molecular Weight: 153.104
• Mol file: 664304-83-0.mol

Synonyms:4-Trifluoromethyl-pyrrolidin-2-one;4-(Trifluoromethyl)pyrrolidin-2-one;4-(trifluoromethyl)-2-Pyrrolidinone;

Chemical Property of 4-(trifluoroMethyl)-2-Pyrrolidinone

Chemical Property:

• Boiling Point: 220.3±35.0 °C(Predicted)
• PKA: 14.99±0.40(Predicted)
• PSA: 29.10000
• Density: 1.339±0.06 g/cm3(Predicted)
• LogP: 1.01360

Purity/Quality:

97% ^*data from raw suppliers

4-(Trifluoromethyl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(trifluoroMethyl)-2-Pyrrolidinone

There total 2 articles about 4-(trifluoroMethyl)-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:

4,4,4-trifluoro-3-(nitromethyl)butyric acid ethyl ester (328-62-1) → 4-(trifluoromethyl)pyrrolidin-2-one (664304-83-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney Ni / ethanol / 1034.3 Torr / cooling

2: 121 mg / toluene / 0.5 h / Heating

With hydrogen; nickel; In ethanol; toluene;

DOI:10.1021/jm030913e

Reference yield:

ethyl 4-amino-3-(3-trifluoromethyl)butanoate (911783-85-2) → 4-(trifluoromethyl)pyrrolidin-2-one (664304-83-0)

Guidance literature:

In toluene; for 0.5h; Heating;

DOI:10.1021/jm030913e

Reference yield: 34.0%

1,4-bromoiodobenzene (589-87-7) + 4-(trifluoromethyl)pyrrolidin-2-one (664304-83-0) → 1-(4-bromophenyl)-4-(trifluoromethyl)pyrrolidin-2-one (1610033-81-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 115 ℃; for 24h; Inert atmosphere; Sealed tube;

upstream raw materials:

ethyl 4-amino-3-(3-trifluoromethyl)butanoate

4,4,4-trifluoro-3-(nitromethyl)butyric acid ethyl ester

Downstream raw materials:

1-(4-bromophenyl)-4-(trifluoromethyl)pyrrolidin-2-one