4-Methyl-2-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 4-Methyl-2-(trifluoromethyl)pyridine
• CAS No.: 1620-79-7
• Molecular Formula: C₇H₆F₃N
• Molecular Weight: 161.127
• Hs Code.: 2933399090
• European Community (EC) Number: 837-968-6
• DSSTox Substance ID: DTXSID50563695
• Nikkaji Number: J3.296.039A
• Wikidata: Q82448178
• Mol file: 1620-79-7.mol

Synonyms:4-methyl-2-(trifluoromethyl)pyridine;1620-79-7;4-Methyl-2-trifluoromethyl-pyridine;Pyridine, 4-methyl-2-(trifluoromethyl)-;SCHEMBL132321;DTXSID50563695;OCNWLIIDVTZUKJ-UHFFFAOYSA-N;YWGVWRYJBGJUNO-UHFFFAOYSA-N;MFCD07774125;4-methyl-2-(trifluoromethyl)-pyridine;AKOS006284635;SB53497;TS-02138;CS-0183592;E84037;EN300-109714

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

Chemical Property:

• Vapor Pressure: 6.66mmHg at 25°C
• Refractive Index: 1.438 (589.3 nm 25℃)
• Boiling Point: 171℃
• PKA: 1.22±0.20(Predicted)
• Flash Point: 40.6°C
• PSA: 12.89000
• Density: 1.216g/cm³
• 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:

99.90% ^*data from raw suppliers

4-Methyl-2-(trifluoromethyl)pyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 9 articles about 4-Methyl-2-(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: 93.0%

2-Bromo-4-picoline (4926-28-7) + Umemoto's reagent (129946-88-9) → 4-methyl-2-(trifluoromethyl)pyridine (1620-79-7)

Guidance literature:

With copper; In N,N-dimethyl-formamide; at 0 - 80 ℃; for 4h; Inert atmosphere;

Reference yield: 76.0%

4-methylpicolinic acid (4021-08-3) → 4-methyl-2-(trifluoromethyl)pyridine (1620-79-7)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 85 ℃; for 24h; Autoclave; Inert atmosphere;

DOI:10.1021/acs.joc.9b03011

Reference yield:

1-dichlorophosphoryl-4-methyl-6-(trifluoromethyl)-1,2-dihydropyridine → 4-methyl-2-(trifluoromethyl)pyridine (1620-79-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; for 3h; Inert atmosphere; Reflux;

DOI:10.3998/ark.5550190.0013.410

upstream raw materials:

trifluoroacetonitrile

isoprene

2-Bromo-4-picoline

trifluoromethylcopper(I)

Refernces

• 1、 Alekseenko, Anatoliy N.,Bugera, Maksym Ya.,Gerus, Igor I.,Kiriakov, Oleksandr,Klipkov, Anton A.,Mykhailiuk, Pavel K.,Pustovit, Yurii,Razhyk, Bohdan,Semenov, Sergey,Starova, Viktoriia S.,Tananaiko, Oksana Yu.,Tarasenko, Karen,Tolmachev, Andrei A.,Trofymchuk, Serhii,Zaporozhets, Olga A.. "Deoxofluorination of (Hetero)aromatic Acids". . p. 3110 - 3124. Retrieved 2020/03/23.
• 2、 -. "Trifluoromethylation process for bromo-pyridine and derivatives thereof". Paragraph 0054-0056. . Retrieved 2018/07/30.