2-Methoxy-3-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 2-Methoxy-3-(trifluoromethyl)pyridine
• CAS No.: 121643-44-5
• Molecular Formula: C7H6F3NO
• Molecular Weight: 177.12
• Hs Code.: 2933399990
• European Community (EC) Number: 625-462-6
• DSSTox Substance ID: DTXSID70923914
• Nikkaji Number: J3.115.049C
• Wikidata: Q72486336
• Mol file: 121643-44-5.mol

Synonyms:2-Methoxy-3-(trifluoromethyl)pyridine;121643-44-5;2-Methoxy-3-Trifluoromethylpyridine;Pyridine, 2-methoxy-3-(trifluoromethyl)-;MFCD00153202;3-(trifluoromethyl)-2-methoxypyridine;SCHEMBL322870;AMY8048;DTXSID70923914;2-methoxy-3-trifluoromethyl-pyridine;AKOS005063435;AC-9483;CS-W002446;FS-1130;2-Methoxy-3-(trifluoromethyl)pyridine, 96%;FT-0612783;M2191;J-509787

Chemical Property of 2-Methoxy-3-(trifluoromethyl)pyridine

Chemical Property:

• Appearance/Colour: Light yellow liquid
• Refractive Index: n20/D 1.441
• Boiling Point: 172.9 °C at 760 mmHg
• PKA: 0.97±0.10(Predicted)
• Flash Point: 58.4 °C
• PSA: 22.12000
• Density: 1.297 g/cm³
• LogP: 2.10900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 177.04014830
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%, ^*data from raw suppliers

2-Methoxy-3-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi, Xn
• Hazard Codes: T,Xi,Xn
• Statements: 10-25-36/37/38-20/21/22
• Safety Statements: 16-26-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=CC=N1)C(F)(F)F
• Uses: 2-Methoxy-3-(trifluoromethyl)pyridine?belongs to pyridine derivatives and can be used as pharmaceutical intermediates.

Technology Process of 2-Methoxy-3-(trifluoromethyl)pyridine

There total 9 articles about 2-Methoxy-3-(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: 89.0%

sodium methylate (124-41-4) + 2-chloro-3-trifluoromethyl-pyridine (65753-47-1) → 2-methoxy-3-(trifluoromethyl)pyridine (121643-44-5)

Guidance literature:

In methanol; at 20 ℃; for 48h;

Reference yield: 76.0%

(trifluoromethyl)trimethylsilane (81290-20-2) + 3-iodo-2-methoxypyridine (112197-15-6) → 2-methoxy-3-(trifluoromethyl)pyridine (121643-44-5)

Guidance literature:

With potassium fluoride; copper(l) iodide; 1,10-Phenanthroline; Trimethyl borate; In dimethyl sulfoxide; at 60 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.3390/molecules25204766

Reference yield: 75.0%

Cu(2+)*2C2F3O4S(1-) + 3-iodo-2-methoxypyridine (112197-15-6) → 2-methoxy-3-(trifluoromethyl)pyridine (121643-44-5)

Guidance literature:

With copper; In N,N-dimethyl-formamide; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c6ra09011g

upstream raw materials:

methanol

2-chloro-3-trifluoromethyl-pyridine

sodium methylate

Langlois reagent

Downstream raw materials:

6-methoxy-5-(trifluoromethyl)nicotinic acid

((S)-3-(6-(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ylamino)pyrrolidin-1-yl)((1R,4R)-4-methoxycyclohexyl)methanone

((S)-3-(6-(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ylamino)pyrrolidin-1-yl)((1S,4S)-4-methoxycyclohexyl)methanone

5-bromo-2-methoxy-3-(trifluoromethyl)pyridine

Refernces

• 1、 Farkas, Emese,Gyorfi, Nandor,Kotschy, Andras,Nemet, Norbert,Novak, Zoltan,Weber, Csaba. "Copper-catalyzed trifluoromethylation of alkoxypyridine derivatives". . . Retrieved 2020/10/27.
• 2、 Zhao, Gang,Wu, Hao,Xiao, Zhiwei,Chen, Qing-Yun,Liu, Chao. "Trifluoromethylation of haloarenes with a new trifluoro-methylating reagent Cu(O2CCF2SO2F)2". . p. 50250 - 50254. Retrieved 2016/06/15.