Trifluoromethyl radical

Base Information

• Chemical Name: Trifluoromethyl radical
• CAS No.: 2264-21-3
• Molecular Formula: CF3
• Molecular Weight: 69.0062
• DSSTox Substance ID: DTXSID40177184
• Nikkaji Number: J246.654F
• Mol file: 2264-21-3.mol

Synonyms:Trifluoromethyl radical;2264-21-3;Trifluoromethyl;Methyl, trifluoro-;DTXSID40177184

Chemical Property of Trifluoromethyl radical

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 1.05550
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 68.99520949
• Heavy Atom Count: 4
• Complexity: 8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C](F)(F)F

Technology Process of Trifluoromethyl radical

There total 67 articles about Trifluoromethyl radical 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:

iodotrifluoromethane (2314-97-8,263005-66-9) + hydrogen → trifluoromethyl radical (2264-21-3) + iododifluoromethyl (66720-78-3) + hydrogen fluoride (7664-39-3,12381-92-9,32057-09-3,74835-82-8) + hydrogen iodide (10034-85-2)

Guidance literature:

In neat (no solvent); reaction with atomic H in a stream of He; determination by MS;;

Reference yield:

Bromotrifluoromethane (75-63-8) + 4-Cyanopyridin-anion → pyridine-4-carbonitrile (100-48-1) + trifluoromethyl radical (2264-21-3)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In N,N-dimethyl-formamide; at 25 ℃; Rate constant;

DOI:10.1021/ja00158a044

Reference yield:

Dichlorodifluoromethane (75-71-8) → difluoro-methylene (2154-59-8) + trifluoromethyl radical (2264-21-3) + clorine (14700-96-0,14835-24-6,15723-23-6,16547-50-5,16885-04-4,16887-00-6,16904-11-3,16904-12-4,16999-02-3,20337-89-7,20499-73-4,22537-15-1,22537-27-5,22541-73-7,22541-74-8,24203-47-2,33944-49-9,34937-26-3,37352-90-2) + chlorine (7782-50-5) + fluorine

Guidance literature:

In gaseous matrix; decomposition at 2085+/-45K dild. with Ar in an impact tube; further products;;

DOI:10.1021/j100859a039

upstream raw materials:

chlorotrifluoromethane

Bromotrifluoromethane

terephthalonitrile radical anion

1,4-diacetylbenzene anion radical

Downstream raw materials:

Carbonyl fluoride

trifluoromethan

(CF₃)2CN-radical

difluoro-methylene

Refernces

Potent non-nucleoside inhibitors of the measles virus RNA-dependent RNA polymerase complex

10.1021/jm701239a

The research focuses on the development of potent non-nucleoside inhibitors targeting the measles virus RNA-dependent RNA polymerase complex (RdRp), which is crucial for viral replication. The study expands on a high-throughput screening hit compound 1 (16677) that can inhibit viral reproduction at 250 nM by targeting the RdRp. The experiments involve the synthesis and structure-activity relationship (SAR) analysis of a broad range of low nanomolar nonpeptidic measles virus inhibitors, with particular emphasis on the role of the trifluoromethyl (CF3) functionality. Various reactants, including acid chlorides, amines, and sulfonamide derivatives, are utilized in the synthesis of these inhibitors. The analyses encompass nuclear magnetic resonance (NMR) spectroscopy for structural characterization, elemental analysis for composition verification, and a quantitative structure-activity relationship (QSAR) study using Molecular Field Topology Analysis (MFTA) to predict the activities of the synthesized compounds and understand the impact of different structural modifications on their antiviral potency.