1-Butyl-5-hydroxy-5-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone

Base Information

• Chemical Name: 1-Butyl-5-hydroxy-5-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone
• CAS No.: 93040-68-7
• Molecular Formula: C₁₅H₁₈F₃NO₂
• Molecular Weight: 301.309
• DSSTox Substance ID: DTXSID30918760
• ChEMBL ID: CHEMBL104448
• Mol file: 93040-68-7.mol

Synonyms:BRN 6527421;1-Butyl-5-hydroxy-5-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone;2-Pyrrolidinone, 1-butyl-5-hydroxy-5-(3-(trifluoromethyl)phenyl)-;93040-68-7;CHEMBL104448;DTXSID30918760;1-butyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one;LS-138651

Chemical Property of 1-Butyl-5-hydroxy-5-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 5.18E-07mmHg at 25°C
• Boiling Point: 396.9°C at 760 mmHg
• Flash Point: 193.8°C
• Density: 1.255g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 301.12896330
• Heavy Atom Count: 21
• Complexity: 386

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=O)CCC1(C2=CC(=CC=C2)C(F)(F)F)O

Technology Process of 1-Butyl-5-hydroxy-5-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone

There total 1 articles about 1-Butyl-5-hydroxy-5-(3-(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:

N-butylsuccinimide (3470-96-0) + 3-bromo-1-trifluoromethylbenzene (401-78-5) → 1-Butyl-5-hydroxy-5-(3-trifluoromethyl-phenyl)-pyrrolidin-2-one (93040-68-7)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1.) Et₂O, reflux, 1 h, 2.) Et₂O, C₆H₆, reflux, 4 h;

DOI:10.1021/jm00379a007

upstream raw materials:

N-butylsuccinimide

3-bromo-1-trifluoromethylbenzene