2-Methyl-4-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 2-Methyl-4-(trifluoromethyl)pyridine
• CAS No.: 106877-17-2
• Molecular Formula: C7H6F3N
• Molecular Weight: 161.12400
• European Community (EC) Number: 969-097-3
• DSSTox Substance ID: DTXSID30563693
• Wikidata: Q82448175
• Mol file: 106877-17-2.mol

Synonyms:2-METHYL-4-(TRIFLUOROMETHYL)PYRIDINE;106877-17-2;MFCD13185742;SCHEMBL1312951;DTXSID30563693;HFJFOVTYVYJGQU-UHFFFAOYSA-N;QBXDXYDCKGCVJV-UHFFFAOYSA-N;UGCWJSBVDUSYKJ-UHFFFAOYSA-N;2-methyl-4-trifluoromethylpyridine;AKOS005258163;SB54282;MS-20686;CS-0308009;EN300-104637

Chemical Property of 2-Methyl-4-(trifluoromethyl)pyridine

Chemical Property:

• PSA: 12.89000
• LogP: 2.40880
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 161.04523368
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-4-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CC(=C1)C(F)(F)F

Technology Process of 2-Methyl-4-(trifluoromethyl)pyridine

There total 6 articles about 2-Methyl-4-(trifluoromethyl)pyridine 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: 56.0%

methanol (67-56-1) + 4-trifluoromethylpyridine (3796-24-5) → C8H8F3N + 2-methyl-4-(trifluoromethyl)pyridine (106877-17-2)

Guidance literature:

With Ethyl 2-mercaptopropionate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; toluene-4-sulfonic acid; In dimethyl sulfoxide; at 23 ℃; UV-irradiation;

DOI:10.1038/nature14885

Reference yield: 41.0%

methylmagnesium chloride (676-58-4) + 2-chloro-4-trifluoromethyl pyridine (81565-18-6) → 2-methyl-4-(trifluoromethyl)pyridine (106877-17-2)

Guidance literature:

With iron(III) chloride; In tetrahydrofuran; at 0 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1002/chem.202101586

Reference yield: 1.0%

α-picoline (109-06-8) + Bromotrifluoromethane (75-63-8) → 2-methyl-6-(trifluoromethyl)pyridine (1620-72-0) + 2-Methyl-5-(trifluoromethyl)pyridine (31181-54-1) + 2-methyl-4-(trifluoromethyl)pyridine (106877-17-2) + 2-methyl-3-(trifluoromethyl)pyridine (106877-18-3)

Guidance literature:

With sodium metabisulfite; sulfur dioxide; zinc; In N,N-dimethyl-formamide; at 65 ℃; for 3h; under 5250.4 - 6000.5 Torr;

upstream raw materials:

α-picoline

Bromotrifluoromethane

trimethylaluminum

2-chloro-4-trifluoromethyl pyridine