3-(Trifluoromethyl)phenyltrimethylammonium Iodide

Base Information

• Chemical Name: 3-(Trifluoromethyl)phenyltrimethylammonium Iodide
• CAS No.: 27389-57-7
• Molecular Formula: C10H13 F3 N . I
• Molecular Weight: 331.12
• Hs Code.: 2923900090
• DSSTox Substance ID: DTXSID00375341
• Mol file: 27389-57-7.mol

Synonyms:27389-57-7;3-(Trifluoromethyl)phenyltrimethylammonium Iodide;N,N,N-Trimethyl-3-(trifluoromethyl)benzenaminium iodide;trimethyl-[3-(trifluoromethyl)phenyl]azanium;iodide;Trifluoromethylphenyltrimethylammoniumiodide;98%;3-(trifluoromethyl)phenyl trimethylammonium iodide;m-TFPTAI;3-(Trifluoromethyl)phenyltrimethylammoniumIodide;SCHEMBL2352844;DTXSID00375341;VKZIUXSJJSEBAK-UHFFFAOYSA-M;MFCD00059980;AKOS015833368;HY-W127663;AS-69884;CS-0185862;FT-0676379;T1014;D92439;Trimethyl-3-trifluoromethylphenylammonium Iodide;A819044;N,N,N-trimethyl-3-(trifluoromethyl)anilinium iodide;Trimethyl[3-(trifluoromethyl)phenyl]ammonium iodide;N,N,N-Trimethyl-3-(trifluoromethyl)benzenaminiumiodide

Chemical Property of 3-(Trifluoromethyl)phenyltrimethylammonium Iodide

Chemical Property:

• Melting Point: 243 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: -0.09390
• Water Solubility.: almost transparency in hot Water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 331.00448
• Heavy Atom Count: 15
• Complexity: 193

Purity/Quality:

98% ^*data from raw suppliers

3-(Trifluoromethyl)phenyltrimethylammonium Iodide >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[I-]

Technology Process of 3-(Trifluoromethyl)phenyltrimethylammonium Iodide

There total 1 articles about 3-(Trifluoromethyl)phenyltrimethylammonium Iodide 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:

3-trifluoromethylaniline (98-16-8) + methyl iodide (74-88-4) → N,N,N-trimethyl-3-(trifluoromethyl)benzenaminium iodide (27389-57-7)

Guidance literature:

With N,N-dipropylaniline; In N,N-dimethyl-formamide;

DOI:10.1021/jo00805a021

Reference yield: 73.0%

N,N,N-trimethyl-3-(trifluoromethyl)benzenaminium iodide (27389-57-7) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-2-(3-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane (325142-82-3)

Guidance literature:

With 10H-phenothiazine; caesium carbonate; In acetonitrile; for 18h; Irradiation; Sealed tube; Inert atmosphere;

DOI:10.1021/jacs.9b12519

Reference yield:

N,N,N-trimethyl-3-(trifluoromethyl)benzenaminium iodide (27389-57-7) → [18F]-1-fluoro-3-(trifluoromethyl)benzene

Guidance literature:

With potassium carbonate; [2.2.2]cryptande; In 1-methyl-pyrrolidin-2-one; for 0.05h; microwave irradiation;

DOI:10.1002/jlcr.1196

upstream raw materials:

3-trifluoromethylaniline

methyl iodide

Downstream raw materials:

4,4,5,5-tetramethyl-2-(3-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane